Hydrochloric Acid

Hydrochloric Acid

SCHEMBL1963775

Cl.Nc1cccc(F)c1I

nearest known ligand 0.52

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
PIK3CA known ✓ P42336 1/20 0.36
HTR2C known ✓ P28335 1/20 0.31
HTR2B known ✓ P41595 1/20 0.31
HDAC1 known ✓ Q13547 1/20 0.31
CYP3A4 P08684 5/20 0.38
ALDH1A1 P00352 4/20 0.38
TSHR P16473 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
ALOX15 P16050 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
KEAP1 Q14145 1/20 0.32

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
SCHEMBL1964436 0.97
Cyanide SCHEMBL27807941 0.91 CYP3A4 (0.35) CYP3A4ALDH1A1TSHRTDP1HPGD
SCHEMBL577856 0.78
SCHEMBL13573831 0.78
Phosphine SCHEMBL28192230 0.75 CES2 (0.39) MEN1KMT2ACES2CES1TAAR1
Hydrochloric Acid SCHEMBL22263487 0.74 CYP3A4 (0.41) CYP3A4ALDH1A1TSHRTDP1HPGD
Hydrochloric Acid SCHEMBL4376685 0.73 CYP3A4 (0.53) CYP3A4ALDH1A1TSHRTDP1HPGD
Hydrochloric Acid SCHEMBL3152989 0.73
SCHEMBL601969 0.70
SCHEMBL59477 0.70

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
CN-115697971-A Cyclobutyldihydroquinoline sulfonamide compound 美国安进公司 2023-02-03 CN disclosed
CN-104592128-A SUBSTITUTED CINNOLINE DERIVATIVES AS GABAA-RECEPTOR MODULATORS AND METHOD FOR THEIR SYNTHESIS ASTRAZENECA AB 2015-05-06 CN disclosed
EP-1966158-B1 SUBSTITUTED CINNOLINE DERIVATIVES AS GABAA-RECEPTOR MODULATORS AND METHOD FOR THEIR SYNTHESIS ASTRAZENECA AB (SE) 2012-08-08 EP disclosed
US-20110144331-A1 Cinnoline Compounds for the Treatment of Anxiety, Cognitive and Mood Disorders ASTRAZENECA AB (SE) 2011-06-16 US disclosed
US-20100184738-A1 Uses of cinnoline compounds to treat schizophrenia ASTRAZENECA AB (SE) 2010-07-22 US disclosed
EP-2167091-A1 CINNOLINE COMPOUNDS FOR USE IN THE TREATMENT OF SCHIZOPHRENIA AstraZeneca AB (SE) 2010-03-31 EP disclosed
CN-101379042-A Substituted cinnoline derivatives as GABAA receptor modulators and methods of synthesis thereof ASTRAZENECA AB (SE) 2009-03-04 CN disclosed
US-20090036454-A1 Compounds and Uses Thereof ASTRAZENECA AB (SE) 2009-02-05 US disclosed
US-20090018112-A1 Compounds and Uses Thereof ASTRAZENECA AB (SE) 2009-01-15 US disclosed
US-20080318925-A1 Compounds and Uses Thereof - 849 ASTRAZENECA AB (SE) 2008-12-25 US disclosed
WO-2008155573-A1 CINNOLINE COMPOUNDS FOR USE IN THE TREATMENT OF SCHIZOPHRENIA ASTRAZENECA AB (SE) 2008-12-24 WO disclosed
US-7465795-B2 Compounds and uses thereof ASTRAZENECA AB (SE) 2008-12-16 US disclosed
US-7425556-B2 Compounds and uses thereof ASTRAZENECA AB (SE) 2008-09-16 US disclosed
EP-1966158-A1 SUBSTITUTED CINNOLINE DERIVATIVES AS GABAA-RECEPTOR MODULATORS AND METHOD FOR THEIR SYNTHESIS AstraZeneca AB (SE) 2008-09-10 EP disclosed
WO-2007073283-A1 SUBSTITUTED CINNOLINE DERIVATIVES AS GABAA-RECEPTOR MODULATORS AND METHOD FOR THEIR SYNTHESIS ASTRAZENECA AB (SE) 2007-06-28 WO disclosed
US-20070142328-A1 Compounds and Uses Thereof ASTRAZENECA AB (SE) 2007-06-21 US disclosed
US-20070142382-A1 Compounds and Uses Thereof ASTRAZENECA AB (SE) 2007-06-21 US disclosed
US-4855445-A Substituted-8-alkenyl-1,3,4,9-tetrahydropyrano[3,4-b]indole-1-acetic acids AMERICAN HOME PRODUCTS CORPORATION (US) 1989-08-08 US disclosed
US-4822781-A ANTIINFLAMMATORY, ANALGESIC AGENTS AMERICAN HOME PRODUCTS (US) 1989-04-18 US 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 (7 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-20070142328-A1 Compounds and Uses Thereof MAPT, BDNF, PYGB PIK3CA 3253/4885HTR2C 17/4885HTR2B 33/4885
US-20070142382-A1 Compounds and Uses Thereof MAPT, BDNF, PYGB PIK3CA 3253/4885HTR2C 17/4885HTR2B 33/4885
US-20110144331-A1 Cinnoline Compounds for the Treatment of Anxiety, Cognitive and Mood Disorders HTR7, HTR2C, CRH PIK3CA 2403/4885HTR2C 2/4885HTR2B 9/4885
US-20090018112-A1 Compounds and Uses Thereof MAPT, BDNF, PYGB PIK3CA 3253/4885HTR2C 17/4885HTR2B 33/4885
US-20090036454-A1 Compounds and Uses Thereof MAPT, BDNF, PYGB PIK3CA 3253/4885HTR2C 17/4885HTR2B 33/4885
US-20100184738-A1 Uses of cinnoline compounds to treat schizophrenia COMT, BACE1, CHAT PIK3CA 4070/4885HTR2C 56/4885HTR2B 71/4885
US-20080318925-A1 Compounds and Uses Thereof - 849 COMT, UGT1A9, BACE1 PIK3CA 3981/4885HTR2C 472/4885HTR2B 143/4885

“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.