Hydrochloric Acid

Hydrochloric Acid

SCHEMBL1193387

Cc1cnc(CCl)c(C)c1.Cl

nearest known ligand 0.45

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 19)

geneUniProtsupporting neighboursconfidence
HSP90AA1 known ✓ P07900 1/20 0.39
HSP90AB1 known ✓ P08238 1/20 0.39
CCR5 known ✓ P51681 2/20 0.35
CHRM2 known ✓ P08172 1/20 0.30
CHRM4 known ✓ P08173 1/20 0.30
CHRM5 known ✓ P08912 1/20 0.30
CHRM1 known ✓ P11229 1/20 0.30
CHRM3 known ✓ P20309 1/20 0.30
HDAC6 known ✓ Q9UBN7 1/20 0.30
NOS3 P29474 1/20 0.45
NOS1 P29475 1/20 0.45
NOS2 P35228 1/20 0.45
CCR1 P32246 2/20 0.35
CCR8 P51685 2/20 0.35
AGBL2 Q5U5Z8 2/20 0.34
CXCR4 P61073 2/20 0.33
CYP1A2 P05177 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.30
CYP2D6 P10635 1/20 0.30

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 SCHEMBL29861810 1.00 NOS3 (0.45) NOS3NOS1NOS2HSP90AA1HSP90AB1
SCHEMBL30164264 0.98 NOS3 (0.46) NOS3NOS1NOS2HSP90AA1HSP90AB1
SCHEMBL286660 0.98 NOS3 (0.46) NOS3NOS1NOS2HSP90AA1HSP90AB1
Hydrochloric Acid SCHEMBL29505659 0.78 NOS3 (0.50) NOS3NOS1NOS2HSP90AA1HSP90AB1
Hydrochloric Acid SCHEMBL18765135 0.78 NOS3 (0.50) NOS3NOS1NOS2HSP90AA1HSP90AB1
Hydrochloric Acid SCHEMBL6445926 0.78 NOS3 (0.50) NOS3NOS1NOS2HSP90AA1HSP90AB1
SCHEMBL873234 0.77 NOS3 (0.48) NOS3NOS1NOS2HSP90AA1HSP90AB1
SCHEMBL29384905 0.77 NOS3 (0.48) NOS3NOS1NOS2HSP90AA1HSP90AB1
SCHEMBL16039165 0.77 CCR1 (0.34) NOS3NOS1NOS2HSP90AA1HSP90AB1
SCHEMBL2112705 0.77 S1PR1 (0.39) AGBL2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115089559-B Preparation method of microsphere for injection 山东济坤生物制药有限公司 2023-05-26 CN claimed
CN-115089559-A Preparation method of microspheres for injection 山东济坤生物制药有限公司 2022-09-23 CN claimed
EP-0240158-B1 BENZIMIDAZOLE DERIVATIVES TOKYO TANABE COMPANY LIMITED (JP) 1991-04-03 EP claimed
EP-0240158-A1 Benzimidazole derivatives TOKYO TANABE COMPANY LIMITED (JP) 1987-10-07 EP claimed
CN-115089559-B Preparation method of microsphere for injection 山东济坤生物制药有限公司 2023-05-26 CN disclosed
CN-115089559-A Preparation method of microspheres for injection 山东济坤生物制药有限公司 2022-09-23 CN disclosed
US-20200147064-A1 Reduction of Pro-Inflammatory HDL Using a Leukotriene Inhibitor AUTOIMMUNE PHARMA LLC (US) 2020-05-14 US disclosed
CN-107915736-A Adjacent nitro aroylation derivatives quasi-compound, preparation method and applications 兰州大学 2018-04-17 CN disclosed
CN-104402867-A Preparation method of esomeprazole impurities H and B YANTAI VALIANT FINE CHEMICALS CO LTD 2015-03-11 CN disclosed
US-8841295-B2 5-lipoxygenase-activating protein (FLAP) inhibitors PANMIRA PHARMACEUTICALS, LLC (US) 2014-09-23 US disclosed
CN-101541811-B Pyrazolopyrimidine Derivatives DAIICHI SANKYO CO LTD 2014-07-09 CN disclosed
US-8710081-B2 5-lipoxygenase-activating protein (FLAP) inhibitors PANMIRA PHARMACEUTICALS, LLC (US) 2014-04-29 US disclosed
EP-0214479-A2 Benzimidazol-2-ylpyridinium compounds F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1987-03-18 EP disclosed
EP-0146370-A2 Imidazoquinolines containing other heterocyclic groups JOHN WYETH & BROTHER LIMITED (GB) 1985-06-26 EP disclosed
US-4508905-A GASTRIC ACID SECRETION INHIBITORS AKTIEBOLAGET HASSLE (SE) 1985-04-02 US disclosed
US-4359465-A HETEROCYCLIC ALKYLSULFINYL BENZIMIDAZOLES THE UPJOHN COMPANY (US) 1982-11-16 US disclosed
US-4337257-A Gastric acid secretion inhibiting substituted 2-(2-benzimidazolyl)-pyridines, their preparation, pharmaceutical preparations containing same, and method for inhibiting gastric acid secretion AKTIEBOLAGET HASSLE (SE) 1982-06-29 US disclosed
EP-0005129-B1 SUBSTITUTED PYRIDYLSULFINYLBENZIMIDAZOLES HAVING GASTRIC ACID SECRETION PROPERTIES, PHARMACEUTICAL PREPARATIONS CONTAINING SAME, AND INTERMEDIATES FOR THEIR PREPARATION Aktiebolaget Hässle (SE) 1981-04-29 EP disclosed
US-4255431-A Gastric acid secretion inhibiting substituted 2-(2-benzimidazolyl)-pyridines, pharmaceutical preparations containing same, and method for inhibiting gastric acid secretion AKTIEBOLAGET HASSLE (SE) 1981-03-10 US disclosed
EP-0005129-A1 Substituted pyridylsulfinylbenzimidazoles having gastric acid secretion properties, pharmaceutical preparations containing same, and intermediates for their preparation Aktiebolaget Hässle (SE) 1979-10-31 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 (1 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-20200147064-A1 Reduction of Pro-Inflammatory HDL Using a Leukotriene Inhibitor LTB4R, LTC4S, LTB4R2 HSP90AA1 3433/4885HSP90AB1 3107/4885CCR5 1130/4885

“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.