Hydrochloric Acid

Hydrochloric Acid

SCHEMBL425553

Cc1cc(NN)ccc1C#N.Cl

nearest known ligand 0.43

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
S1PR3 known ✓ Q99500 1/20 0.35
NR3C1 known ✓ P04150 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.43
TSHR P16473 1/20 0.42
BLM P54132 1/20 0.39
IDO1 P14902 1/20 0.38
IDH1 O75874 1/20 0.38
SLC22A12 Q96S37 2/20 0.36
HTT P42858 1/20 0.36
ALDH1A1 P00352 2/20 0.35
AR P10275 2/20 0.35
NOS3 P29474 2/20 0.35
NOS1 P29475 2/20 0.35
PRKDC P78527 1/20 0.34
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 0.34
CSNK1D P48730 1/20 0.34
CSNK1G2 P78368 1/20 0.34
PGR P06401 1/20 0.34
NR3C2 P08235 1/20 0.34

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
SCHEMBL426896 0.98 ABCG2 (0.44) ABCG2TSHRBLMIDO1IDH1
Hydrochloric Acid SCHEMBL2905515 0.85 TSHR (0.42) ABCG2TSHRIDO1SLC22A12HTT
SCHEMBL2136354 0.82 TSHR (0.43) ABCG2TSHRIDO1SLC22A12HTT
SCHEMBL12117937 0.80 ABCG2 (0.46) ABCG2TSHRBLMIDH1SLC22A12
Hydrochloric Acid SCHEMBL423366 0.77 IDO1 (0.61) BLMIDO1SLC22A12S1PR3ALDH1A1
Hydrochloric Acid SCHEMBL5057770 0.77 TRPV4 (0.50) IDO1IDH1PGR
Hydrochloric Acid SCHEMBL7874448 0.77 ALDH1A1 (0.60) SLC22A12ALDH1A1ARKDM4EUSP2
Hydrochloric Acid SCHEMBL551861 0.77 IMPDH2 (0.51) IDH1ALDH1A1ARKDM4EUSP2
SCHEMBL25024871 0.76 ABCG2 (0.43) ABCG2TSHRBLMIDH1SLC22A12
SCHEMBL8169537 0.76 ABCG2 (0.43) ABCG2TSHRBLMIDO1IDH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119731178-A USP1 inhibitors and uses thereof 福马治疗有限公司 2025-03-28 CN disclosed
US-9468635-B2 Fused ring compound for use as mineralocorticoid receptor antagonist KBP BIOSCIENCES CO., LTD. (CN) 2016-10-18 US disclosed
CN-103547577-B As the also cyclics of mineralocorticoid receptor antagonists KBP BIOSCIENCES Co.,Ltd. (CN) 2015-09-09 CN disclosed
US-20150126501-A1 Fused Ring Compound For Use As Mineralocorticoid Receptor Antagonist NOVO NORDISK A/S (DK) 2015-05-07 US disclosed
US-8946279-B2 Fused ring compound for use as mineralocorticoid receptor antagonist KBP BIOSCIENCES CO., LTD. (CN) 2015-02-03 US disclosed
US-20130289029-A1 Fused Ring Compound For Use As Mineralocorticoid Receptor Antagonist NOVO NORDISK A/S (DK) 2013-10-31 US disclosed
EP-2607363-A1 FUSED RING COMPOUND FOR USE AS MINERALOCORTICOID RECEPTOR ANTAGONIST KBP Biosciences Co., Ltd. (CN) 2013-06-26 EP disclosed
CN-102372710-A Fused cyclic compound being taken as mineral corticoid recept antagonist KBP BIOSCIENCES CO LTD 2012-03-14 CN disclosed
US-20120035131-A1 PYRAZOLINE COMPOUNDS PFIZER INC 2012-02-09 US disclosed
US-20120022058-A1 4,5-DIHYDRO-1H-PYRAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USES PFIZER INC. 2012-01-26 US disclosed
EP-2089367-B1 PYRAZOLINE COMPOUNDS AS MINERALOCORTICOID RECEPTOR ANTAGONISTS PFIZER PROD INC (US) 2011-12-14 EP disclosed
US-20100280016-A1 PYRAZOLINE COMPOUNDS PFIZER INC 2010-11-04 US disclosed
US-7781428-B2 Cardiovascular disorders; liver disorders ; vascular system disorders; antiinflammatory agents; analgesics ; edema; hypotensive agents PFIZER INC. (US) 2010-08-24 US disclosed
CN-101541757-A Pyrazolines as Mineralocorticoid Receptor Antagonists PFIZER PROD INC (US) 2009-09-23 CN disclosed
EP-2089367-A1 PYRAZOLINE COMPOUNDS AS MINERALOCORTICOID RECEPTOR ANTAGONISTS Pfizer Products Incorporated (US) 2009-08-19 EP disclosed
US-20080167294-A1 Cardiovascular disorders; liver disorders ; vascular system disorders; antiinflammatory agents; analgesics ; edema; hypotensive agents PFIZER, INC (US) 2008-07-10 US disclosed
WO-2008053300-A1 PYRAZOLINE COMPOUNDS AS MINERALOCORTICOID RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2008-05-08 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-20130289029-A1 Fused Ring Compound For Use As Mineralocorticoid Receptor Antagonist NR3C2, REN, MC2R S1PR3 184/4885NR3C1 9/4885ABCG2 1230/4885
US-20120035131-A1 PYRAZOLINE COMPOUNDS F12, CYP3A7, ABCG2 S1PR3 327/4885NR3C1 2874/4885ABCG2 3/4885
US-20100280016-A1 PYRAZOLINE COMPOUNDS F12, CYP3A7, ABCG2 S1PR3 327/4885NR3C1 2874/4885ABCG2 3/4885
US-20150126501-A1 Fused Ring Compound For Use As Mineralocorticoid Receptor Antagonist NR3C2, REN, MC2R S1PR3 184/4885NR3C1 9/4885ABCG2 1230/4885
US-20120022058-A1 4,5-DIHYDRO-1H-PYRAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USES NR3C2, REN, AGTR1 S1PR3 342/4885NR3C1 14/4885ABCG2 1130/4885
US-20080167294-A1 Cardiovascular disorders; liver disorders ; vascular system disorders; antiinflammatory agents; analgesics ; edema; hypotensive agents REN, F3, EDNRB S1PR3 295/4885NR3C1 1145/4885ABCG2 496/4885

“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.