Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3483375

Cl.Cl.NCc1cncc2ccccc12

nearest known ligand 0.55

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
PRKCZ known ✓ Q05513 1/20 0.44
HTR2A known ✓ P28223 1/20 0.41
ADRA2A known ✓ P08913 3/20 0.40
ADRA2B known ✓ P18089 3/20 0.40
ADRA2C known ✓ P18825 3/20 0.40
ADRA1A known ✓ P35348 3/20 0.40
ADRA1D known ✓ P25100 2/20 0.40
ADRA1B known ✓ P35368 2/20 0.40
KCNA5 known ✓ P22460 1/20 0.37
KCNH2 known ✓ Q12809 1/20 0.37
CYP11B1 P15538 2/20 0.46
CYP11B2 P19099 2/20 0.46
LOXL2 Q9Y4K0 1/20 0.41
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
AOC1 P19801 1/20 0.38
AOC3 Q16853 1/20 0.38
CYP3A4 P08684 2/20 0.38

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
SCHEMBL4045763 0.98 CYP11B1 (0.47) CYP11B1CYP11B2PRKCZLOXL2HTR2A
SCHEMBL29263807 0.82 PRKCZ (0.47) CYP11B1CYP11B2PRKCZHTR2AADRA2A
Hydrochloric Acid SCHEMBL6845329 0.82 CYP11B1 (0.47) CYP11B1CYP11B2PRKCZADRA2AADRA2B
SCHEMBL9572666 0.82 CYP11B2 (0.47) CYP11B1CYP11B2PRKCZADRA2AADRA2B
Hydrochloric Acid SCHEMBL6844752 0.80 CYP11B2 (0.46) CYP11B1CYP11B2PRKCZADRA2AADRA2B
SCHEMBL21591577 0.79 CYP11B1 (0.43) CYP11B1CYP11B2PRKCZADRA2AADRA2B
SCHEMBL2258454 0.79 CYP11B1 (0.49) CYP11B1CYP11B2PRKCZADRA2AADRA2B
SCHEMBL11032001 0.78 KCNA5 (0.56) CYP11B1CYP11B2PRKCZPRMT5WDR77
SCHEMBL8088132 0.78 CYP11B1 (0.42) CYP11B1CYP11B2PRKCZADORA2AADORA1
SCHEMBL25076210 0.78 CYP11B2 (0.47) CYP11B1CYP11B2PRKCZADRA2AADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3402777-B1 OXAZOLIDINONES AS TARO INHIBITORS MERCK SHARP & DOHME (US) 2023-12-13 EP disclosed
US-11738010-B2 Oxazolidinones as TarO inhibitors MERCK SHARP & DOHME CORP. (US) 2023-08-29 US disclosed
US-20210346364-A1 OXAZOLIDINONES AS TARO INHIBITORS MERCK SHARP & DOHME CORP. (US) 2021-11-11 US disclosed
US-11141410-B2 Oxazolidinones as taro inhibitors MERCK SHARP & DOHME CORP (US) 2021-10-12 US disclosed
US-20200261436-A1 OXAZOLIDINONES AS TARO INHIBITORS MERCK SHARP & DOHME CORP. (US) 2020-08-20 US disclosed
EP-3402777-A1 OXAZOLIDINONES AS TARO INHIBITORS Merck Sharp & Dohme Corp. (US) 2018-11-21 EP disclosed
WO-2017106138-A1 OXAZOLIDINONES AS TARO INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-06-22 WO disclosed
US-8993588-B2 Carboxamide heterocyclic CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2015-03-31 US disclosed
EP-2810944-A1 HETEROCYCLIC COMPOUND HAVING ANTI-HIV ACTIVITY Toyama Chemical Co., Ltd. (JP) 2014-12-10 EP disclosed
US-20100179166-A1 CARBOXAMIDE HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-07-15 US disclosed
EP-2161996-A1 CARBOXAMIDE HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS Merck Sharp & Dohme Corp. (US) 2010-03-17 EP disclosed
WO-2008153849-A1 CARBOXAMIDE HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2008-12-18 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 (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-20210346364-A1 OXAZOLIDINONES AS TARO INHIBITORS OXA1L, DDO, ALPI PRKCZ 2200/4885HTR2A 4639/4885ADRA2A 3692/4885
US-20200261436-A1 OXAZOLIDINONES AS TARO INHIBITORS OXA1L, DDO, ALPI PRKCZ 2200/4885HTR2A 4639/4885ADRA2A 3692/4885
US-20100179166-A1 CARBOXAMIDE HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS BDKRB1, BDKRB2, CCKBR PRKCZ 3096/4885HTR2A 99/4885ADRA2A 106/4885
US-11141410-B2 Oxazolidinones as taro inhibitors OXA1L, DDO, ALPI PRKCZ 2200/4885HTR2A 4639/4885ADRA2A 3692/4885
US-11738010-B2 Oxazolidinones as TarO inhibitors OXA1L, DDO, ALPI PRKCZ 2200/4885HTR2A 4639/4885ADRA2A 3692/4885

“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.