Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2821363

Cl.Cl.NCC(=O)c1cccnc1

nearest known ligand 0.62

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
GAA known ✓ P10253 1/20 0.57
HDAC1 known ✓ Q13547 3/20 0.52
HDAC6 known ✓ Q9UBN7 1/20 0.52
HDAC8 known ✓ Q9BY41 1/20 0.51
ROCK2 known ✓ O75116 1/20 0.46
ROCK1 known ✓ Q13464 1/20 0.46
HDAC3 known ✓ O15379 1/20 0.45
HDAC2 known ✓ Q92769 1/20 0.45
PLOD2 O00469 2/20 0.62
F7 P08709 1/20 0.60
F3 P13726 1/20 0.60
SARM1 Q6SZW1 1/20 0.60
SIRT2 Q8IXJ6 1/20 0.60
SIRT6 Q8N6T7 1/20 0.60
SIRT1 Q96EB6 1/20 0.60
SIRT3 Q9NTG7 1/20 0.60
SIRT5 Q9NXA8 1/20 0.60
SIRT4 Q9Y6E7 1/20 0.60
ALDH1A1 P00352 4/20 0.57
APP P05067 1/20 0.57

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 SCHEMBL30113106 1.00 PLOD2 (0.62) PLOD2F7F3SARM1SIRT2
Hydrochloric Acid SCHEMBL5419648 1.00 PLOD2 (0.62) PLOD2F7F3SARM1SIRT2
SCHEMBL2296114 0.98 PLOD2 (0.65) PLOD2F7F3SARM1SIRT2
SCHEMBL29786297 0.98 PLOD2 (0.65) PLOD2F7F3SARM1SIRT2
Urea SCHEMBL15552231 0.96 F7 (0.61) PLOD2F7F3SARM1SIRT2
Trifluoroacetic Acid SCHEMBL4883046 0.87 PLOD2 (0.63) PLOD2F7F3SARM1SIRT2
SCHEMBL21133737 0.85 PLOD2 (0.62) PLOD2F7F3SARM1SIRT2
Hydrochloric Acid SCHEMBL9490379 0.82 HDAC1 (0.61) PLOD2F7F3SARM1SIRT2
Hydrochloric Acid SCHEMBL31026319 0.82 HDAC1 (0.61) PLOD2F7F3SARM1SIRT2
SCHEMBL10320930 0.82 PLOD2 (0.89) PLOD2F7F3SARM1SIRT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4188551-B1 ARYL SUBSTITUTED PYRROLO-PYRIDINONES AND THERAPEUTIC USES THEREOF BAYER AG (DE) 2024-12-18 EP disclosed
US-20230322767-A1 ARYL SUBSTITUTED PYRROLO-PYRIDINONES AND THERAPEUTIC USES THEREOF THE BROAD INSTITUTE, INC. 2023-10-12 US disclosed
EP-4188551-A1 ARYL SUBSTITUTED PYRROLO-PYRIDINONES AND THERAPEUTIC USES THEREOF Bayer Aktiengesellschaft (DE) 2023-06-07 EP disclosed
US-20150197503-A1 PROCESS FOR THE SYNTHESIS OF SUBSTITUTED UREA COMPOUNDS BIAL PORTELA & Cª S A (PT) 2015-07-16 US disclosed
EP-2882712-A2 PROCESS FOR THE SYNTHESIS OF SUBSTITUTED UREA COMPOUNDS BIAL - Portela & Cª S.A. (PT) 2015-06-17 EP disclosed
WO-2014017938-A2 PROCESS FOR THE SYNTHESIS OF SUBSTITUTED UREA COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2014-01-30 WO disclosed
US-20100256165-A1 LARGE CONDUCTANCE CALCIUM-ACTIVATED K CHANNEL OPENER HONGU MITSUYA 2010-10-07 US disclosed
US-7759373-B2 Large conductance calcium-activated K channel opener MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-20 US disclosed
US-20080103170-A1 Nicotinic Acetylcholine Receptor Ligands ASTRAZENECA AB (SE) 2008-05-01 US disclosed
US-20070249588-A1 Nicotinic Acetylcholine Receptor Ligands ASTRAZENECA AB (SE) 2007-10-25 US disclosed
WO-2002083111-A2 IMIDAZOLE, THIAZOLE AND OXAZOLE DERIVATIVES AND THEIR USE FOR THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT AND/OR PREVENTION OF POLLAKIURIA OR URINARY INCONTINENCE TANABE SEIYAKU CO., LTD. (JP) 2002-10-24 WO disclosed
EP-0369743-B1 Heterocyclic amides ZENECA LTD (GB) 1995-04-19 EP disclosed
US-5324723-A Analgesics MERCK SHARPE & DOHME LTD. 1994-06-28 US disclosed
EP-0543245-A1 Renin inhibiting amino acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1993-05-26 EP disclosed
EP-0307141-B1 OXAZOLES AND THIAZOLES FOR THE TREATMENT OF SENILE DEMENTIA MERCK SHARP & DOHME LTD. (GB) 1993-01-13 EP disclosed
EP-0506729-A1 PHARMACEUTICALLY ACTIVE OXAZOLE COMPOUNDS Beecham Group p.l.c. (GB) 1992-10-07 EP disclosed
US-5091425-A Inhibitors of the catalytic action of renin IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-02-25 US disclosed
WO-1991009856-A1 PHARMACEUTICALLY ACTIVE OXAZOLE COMPOUNDS BEECHAM GROUP PLC (GB) 1991-07-11 WO disclosed
EP-0369743-A2 Heterocyclic amides ZENECA LIMITED (GB) 1990-05-23 EP disclosed
EP-0307141-A2 Oxazoles and thiazoles for the treatment of senile dementia MERCK SHARP & DOHME LTD. (GB) 1989-03-15 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 (5 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-20100256165-A1 LARGE CONDUCTANCE CALCIUM-ACTIVATED K CHANNEL OPENER KCNN3, KCNN2, KCNN1 GAA 4627/4885HDAC1 1133/4885HDAC6 1559/4885
US-20080103170-A1 Nicotinic Acetylcholine Receptor Ligands CHRNG, CHRNE, CHRNA1 GAA 2272/4885HDAC1 2107/4885HDAC6 2114/4885
US-20070249588-A1 Nicotinic Acetylcholine Receptor Ligands CHRNA1, CHRNB1, CHRNA2 GAA 3879/4885HDAC1 1364/4885HDAC6 1738/4885
US-20150197503-A1 PROCESS FOR THE SYNTHESIS OF SUBSTITUTED UREA COMPOUNDS REN, F12, HAT1 GAA 1915/4885HDAC1 98/4885HDAC6 396/4885
US-20230322767-A1 ARYL SUBSTITUTED PYRROLO-PYRIDINONES AND THERAPEUTIC USES THEREOF PNPO, THPO, PAH GAA 207/4885HDAC1 1974/4885HDAC6 357/4885

“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.