Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3973404

Cl.NC(=O)c1cccc(-c2ccccc2)c1

nearest known ligand 0.68

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 20)

geneUniProtsupporting neighboursconfidence
PARP1 known ✓ P09874 6/20 0.60
HDAC8 known ✓ Q9BY41 1/20 0.58
ROCK2 known ✓ O75116 1/20 0.52
PRKD3 known ✓ O94806 1/20 0.52
ABL1 known ✓ P00519 1/20 0.52
EGFR known ✓ P00533 1/20 0.52
NTRK1 known ✓ P04629 1/20 0.52
LCK known ✓ P06239 1/20 0.52
CSF1R known ✓ P07333 1/20 0.52
FGFR1 known ✓ P11362 1/20 0.52
FLT1 known ✓ P17948 1/20 0.52
FGFR3 known ✓ P22607 1/20 0.52
FLT4 known ✓ P35916 1/20 0.52
KDR known ✓ P35968 1/20 0.52
FLT3 known ✓ P36888 1/20 0.52
PRKCZ known ✓ Q05513 1/20 0.52
ITK known ✓ Q08881 1/20 0.52
ROCK1 known ✓ Q13464 1/20 0.52
NTRK3 known ✓ Q16288 1/20 0.52
NTRK2 known ✓ Q16620 1/20 0.52

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 SCHEMBL30628442 1.00 DHODH (0.68) DHODHKMOPRSS1PRSS2PRSS3
SCHEMBL29788172 0.98 DHODH (0.70) DHODHKMOPRSS1PRSS2PRSS3
SCHEMBL43553 0.98 DHODH (0.70) DHODHKMOPRSS1PRSS2PRSS3
Bromide SCHEMBL30159854 0.96 DHODH (0.68) DHODHKMOPRSS1PRSS2PRSS3
Hydrogen Sulfide SCHEMBL27914334 0.96 DHODH (0.68) DHODHKMOPRSS1PRSS2PRSS3
SCHEMBL29941476 0.96 DHODH (0.68) DHODHKMOPRSS1PRSS2PRSS3
SCHEMBL6999225 0.94 DHODH (0.63) DHODHKMOPRSS1PRSS2PRSS3
SCHEMBL31422694 0.91 PARP1 (0.64) DHODHKMOPRSS1PRSS2PRSS3
SCHEMBL2431097 0.91 PARP1 (0.64) DHODHKMOPRSS1PRSS2PRSS3
Phosphoric Acid SCHEMBL19384990 0.90 DHODH (0.62) DHODHKMOPRSS1PRSS2PRSS3

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017163258-A1 PROCESS FOR THE PREPARATION OF N-[6-(CIS-2,6-DIMETHYLMORPHOLIN-4-YL)PYRIDINE-3-YL]-2- METHYL-4'-(TRIFIUOROMETHOXY) [1,1' -BIPHENYI]-3-CARBOXAMIDE AND ITS POLYMORPHS THEREOF MSN LABORATORIES PRIVATE LIMITED (IN) 2017-09-28 WO claimed
EP-1414801-A1 ARYLAMINES FOR THE TREATMENT OF CONDITIONS ASSOCIATED WITH GSK-3 AstraZeneca AB (SE) 2004-05-06 EP claimed
WO-2003004472-A1 ARYLAMINES FOR THE TREATMENT OF CONDITIONS ASSOCIATED WITH GSK-3 ASTRAZENECA AB (SE) 2003-01-16 WO claimed
US-12528822-B2 Cycloalkane-1,3-diamine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2026-01-20 US disclosed
US-12060365-B2 Cycloalkane-1,3-diamine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2024-08-13 US disclosed
US-20230074669-A1 CYCLOALKANE-1,3-DIAMINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2023-03-09 US disclosed
US-20230030720-A1 CYCLOALKANE-1,3-DIAMINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2023-02-02 US disclosed
EP-4096661-A1 COMPOUNDS AND COMPOSITIONS FOR USE IN TREATING SKIN DISORDERS Kamari Pharma Ltd. (IL) 2022-12-07 EP disclosed
US-11236106-B2 Cycloalkane-1,3-diamine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2022-02-01 US disclosed
US-20200407390-A1 MANNOSE-DERIVED ANTAGONISTS OF FIMH USEFUL FOR TREATING DISEASE FIMBRION THERAPEUTICS INC (US) 2020-12-31 US disclosed
WO-2017163258-A1 PROCESS FOR THE PREPARATION OF N-[6-(CIS-2,6-DIMETHYLMORPHOLIN-4-YL)PYRIDINE-3-YL]-2- METHYL-4'-(TRIFIUOROMETHOXY) [1,1' -BIPHENYI]-3-CARBOXAMIDE AND ITS POLYMORPHS THEREOF MSN LABORATORIES PRIVATE LIMITED (IN) 2017-09-28 WO disclosed
EP-3057962-A1 HYDROCHLORIDE SALT FORM FOR EZH2 INHIBITION Epizyme, Inc. (US) 2016-08-24 EP disclosed
WO-2015057859-A1 HYDROCHLORIDE SALT FORM FOR EZH2 INHIBITION Epizyme, Inc. (US) 2015-04-23 WO disclosed
CN-103842332-A Cyclopropaneamine compound TAKAEDA CHEMICAL IND LTD 2014-06-04 CN disclosed
WO-2014020351-A1 RECEPTOR ANTAGONISTS PROXIMAGEN LIMITED (GB) 2014-02-06 WO disclosed
EP-2054383-A2 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS SmithKline Beecham Corporation (US) 2009-05-06 EP disclosed
WO-2008021849-A2 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-21 WO disclosed
EP-1414801-A1 ARYLAMINES FOR THE TREATMENT OF CONDITIONS ASSOCIATED WITH GSK-3 AstraZeneca AB (SE) 2004-05-06 EP disclosed
WO-2003004472-A1 ARYLAMINES FOR THE TREATMENT OF CONDITIONS ASSOCIATED WITH GSK-3 ASTRAZENECA AB (SE) 2003-01-16 WO 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 (6 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-11236106-B2 Cycloalkane-1,3-diamine derivative MLLT1, MEN1, MLLT3 PARP1 134/4885HDAC8 1582/4885ROCK2 3506/4885
US-20200407390-A1 MANNOSE-DERIVED ANTAGONISTS OF FIMH USEFUL FOR TREATING DISEASE MAN2B2, MAN2A1, MANBA PARP1 1886/4885HDAC8 2148/4885ROCK2 2599/4885
US-12060365-B2 Cycloalkane-1,3-diamine derivative MLLT1, MEN1, MLLT3 PARP1 134/4885HDAC8 1582/4885ROCK2 3506/4885
US-20230030720-A1 CYCLOALKANE-1,3-DIAMINE DERIVATIVE MLLT1, MEN1, MLLT3 PARP1 134/4885HDAC8 1582/4885ROCK2 3506/4885
US-12528822-B2 Cycloalkane-1,3-diamine derivative MLLT1, MLLT3, PRMT6 PARP1 351/4885HDAC8 361/4885ROCK2 2197/4885
US-20230074669-A1 CYCLOALKANE-1,3-DIAMINE DERIVATIVE MLLT1, MEN1, MLLT3 PARP1 134/4885HDAC8 1582/4885ROCK2 3506/4885

“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.