Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3981565

Cl.NC/C(=C/Cl)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HDAC1 known ✓ Q13547 1/20 0.55
HDAC2 known ✓ Q92769 1/20 0.55
MAOA known ✓ P21397 2/20 0.46
MAOB known ✓ P27338 2/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL3981568 1.00 HDAC1 (0.55) HDAC1HDAC2MAOAMAOB
SCHEMBL9154485 0.98 HDAC1 (0.57) HDAC1HDAC2MAOAMAOB
SCHEMBL10723135 0.98 HDAC1 (0.57) HDAC1HDAC2MAOAMAOB
SCHEMBL9154475 0.98 HDAC1 (0.57) HDAC1HDAC2MAOAMAOB
SCHEMBL8574266 0.77 HDAC1 (0.59) HDAC1HDAC2MAOAMAOB
SCHEMBL11207094 0.77 HDAC1 (0.55) HDAC1HDAC2MAOAMAOB
Hydrochloric Acid SCHEMBL11708050 0.77 HDAC1 (0.53) HDAC1HDAC2MAOAMAOB
Hydrochloric Acid SCHEMBL11708055 0.77 HDAC1 (0.53) HDAC1HDAC2MAOAMAOB
SCHEMBL2291836 0.76 ATM (0.45) HDAC1HDAC2MAOAMAOB
SCHEMBL16787362 0.76 ATM (0.45) HDAC1HDAC2MAOAMAOB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3777846-A1 VAP-1 INHIBITORS FOR TREATING PAIN BenevolentAI Cambridge Limited (GB) 2021-02-17 EP disclosed
US-20200397764-A1 VAP-1 INHIBITORS FOR TREATING PAIN PROXIMAGEN, LLC 2020-12-24 US disclosed
US-20190076406-A1 METHODS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH ANGIOGENESIS USING A VASCULAR ADHESION PROTEIN-1 (VAP-1) INHIBITOR NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2019-03-14 US disclosed
US-20180360808-A1 VAP-1 INHIBITORS FOR TREATING PAIN Benevolentai Cambridge Limited (GB) 2018-12-20 US disclosed
EP-3386494-A1 VAP-1 INHIBITORS FOR TREATING PAIN Benevolentai Cambridge Limited (GB) 2018-10-17 EP disclosed
US-20180000791-A1 METHODS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH ANGIOGENESIS USING A VASCULAR ADHESION PROTEIN-1 (VAP-1) INHIBITOR MASSACHUSETTS EYE & EAR INFIRMARY (US) 2018-01-04 US disclosed
WO-2017098236-A1 VAP-1 INHIBITORS FOR TREATING PAIN PROXIMAGEN LIMITED (GB) 2017-06-15 WO disclosed
US-20160279104-A1 METHODS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH ANGIOGENESIS USING A VASCULAR ADHESION PROTEIN-1 (VAP-1) INHIBITOR NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2016-09-29 US disclosed
US-20160113893-A1 NEW THERAPEUTIC USES OF ENZYME INHIBITORS UPSHER-SMITH LABORATORIES, INC. 2016-04-28 US disclosed
US-20160101072-A1 Therapeutic uses of enzyme inhibitors PROXIMAGEN LIMITED (GB) 2016-04-14 US disclosed
US-20140170160-A1 METHODS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH ANGIOGENESIS USING A VASCULAR ADHESION PROTEIN-1 (VAP-1) INHIBITOR MASSACHUSETTS EYE & EAR INFIRMARY (US) 2014-06-19 US disclosed
US-8636995-B2 Methods and devices to regulate stem cell homing CARDIAC PACEMAKERS, INC. (US) 2014-01-28 US disclosed
US-20120276111-A1 METHODS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH ANGIOGENESIS USING A VASCULAR ADHESION PROTEIN-1 (VAP-1) INHIBITOR NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2012-11-01 US disclosed
US-20090170770-A1 METHODS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH ANGIOGENESIS USING A VASCULAR ADHESION PROTEIN-1 (VAP 1) INHIBITOR NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2009-07-02 US disclosed
WO-2009061830-A1 METHODS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH ANGIOGENESIS USING A VASCULAR ADHESION PROTEIN-1 (VAP-1) INHIBITOR MASSACHUSETTS EYE & EAR INFIRMARY (US) 2009-05-14 WO disclosed
US-20080057027-A1 METHODS AND DEVICES TO REGULATE STEM CELL HOMING CARDIAC PACEMAKERS, INC (US) 2008-03-06 US disclosed
US-20080058922-A1 METHODS AND DEVICES EMPLOYING VAP-1 INHIBITORS CARDIAC PACEMAKERS, INC. (US) 2008-03-06 US disclosed
EP-0067105-B1 ALLYL AMINE MAO INHIBITORS MERRELL DOW FRANCE ET CIE (FR) 1987-09-23 EP disclosed
US-4454158-A Allyl amine MAO inhibitors MERRELL TORAUDE ET COMPAGNIE (FR) 1984-06-12 US disclosed
EP-0067105-A2 Allyl amine MAO inhibitors MERRELL DOW FRANCE ET CIE (FR) 1982-12-15 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140170160-A1 METHODS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH ANGIOGENESIS USING A VASCULAR ADHESION PROTEIN-1 (VAP-1) INHIBITOR VCAM1, VAPB, VAPA HDAC1 1426/4885HDAC2 3037/4885MAOA 1932/4885
US-20200397764-A1 VAP-1 INHIBITORS FOR TREATING PAIN VAPB, VAPA, OPRL1 HDAC1 1927/4885HDAC2 3989/4885MAOA 563/4885
US-20180360808-A1 VAP-1 INHIBITORS FOR TREATING PAIN VAPB, VAPA, OPRL1 HDAC1 1927/4885HDAC2 3989/4885MAOA 563/4885
US-20160279104-A1 METHODS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH ANGIOGENESIS USING A VASCULAR ADHESION PROTEIN-1 (VAP-1) INHIBITOR VCAM1, VAPB, VAPA HDAC1 1426/4885HDAC2 3037/4885MAOA 1932/4885
US-20160113893-A1 NEW THERAPEUTIC USES OF ENZYME INHIBITORS VAPB, VAPA, AOX1 HDAC1 1518/4885HDAC2 2297/4885MAOA 83/4885
US-20120276111-A1 METHODS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH ANGIOGENESIS USING A VASCULAR ADHESION PROTEIN-1 (VAP-1) INHIBITOR VCAM1, VAPB, VAPA HDAC1 1426/4885HDAC2 3037/4885MAOA 1932/4885
US-20190076406-A1 METHODS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH ANGIOGENESIS USING A VASCULAR ADHESION PROTEIN-1 (VAP-1) INHIBITOR VCAM1, VAPB, VAPA HDAC1 1426/4885HDAC2 3037/4885MAOA 1932/4885
US-20180000791-A1 METHODS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH ANGIOGENESIS USING A VASCULAR ADHESION PROTEIN-1 (VAP-1) INHIBITOR VCAM1, VAPB, VAPA HDAC1 1426/4885HDAC2 3037/4885MAOA 1932/4885
US-20090170770-A1 METHODS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH ANGIOGENESIS USING A VASCULAR ADHESION PROTEIN-1 (VAP 1) INHIBITOR VCAM1, VAPB, FLT1 HDAC1 1368/4885HDAC2 3012/4885MAOA 1807/4885
US-20160101072-A1 Therapeutic uses of enzyme inhibitors VAPB, VAPA, AOX1 HDAC1 1582/4885HDAC2 2461/4885MAOA 43/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.