Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5263986

CO/N=C1\CN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)CC1(C)CN.Cl

nearest known ligand 0.56

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
KCNH2 known ✓ Q12809 5/20 0.56
CHRM2 known ✓ P08172 2/20 0.51
DRD1 known ✓ P21728 1/20 0.51
DPP4 known ✓ P27487 1/20 0.51
OPRM1 known ✓ P35372 2/20 0.47
PRKD3 known ✓ O94806 1/20 0.47
CHRM1 known ✓ P11229 1/20 0.46
OPRD1 known ✓ P41143 1/20 0.46
TOP2A known ✓ P11388 5/20 0.46
TOP2B known ✓ Q02880 5/20 0.46
KDM4E B2RXH2 4/20 0.49
HSD17B10 Q99714 3/20 0.49
LMNA P02545 2/20 0.49
ABCC4 O15439 1/20 0.49
ALDH1A1 P00352 4/20 0.47
HPGD P15428 3/20 0.47
POLB P06746 2/20 0.47
ALOX15 P16050 1/20 0.47
CLK2 P49760 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47

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 SCHEMBL5263989 1.00 KCNH2 (0.56) KCNH2CHRM2DRD1DPP4KDM4E
SCHEMBL5261868 0.99 KCNH2 (0.57) KCNH2CHRM2DRD1DPP4KDM4E
SCHEMBL5261875 0.90 KCNH2 (0.46) KCNH2CHRM2DRD1DPP4KDM4E
Hydrochloric Acid SCHEMBL6713218 0.88 KCNH2 (0.64) KCNH2CHRM2KDM4EHSD17B10ALDH1A1
SCHEMBL5261280 0.87 KCNH2 (0.65) KCNH2CHRM2KDM4EHSD17B10LMNA
Hydrochloric Acid SCHEMBL5262696 0.86 KDM4E (0.56) KCNH2CHRM2DRD1DPP4KDM4E
Hydrochloric Acid SCHEMBL5262692 0.86 KDM4E (0.56) KCNH2CHRM2DRD1DPP4KDM4E
Hydrochloric Acid SCHEMBL5265531 0.86 KCNH2 (0.56) KCNH2CHRM2DRD1DPP4POLB
Hydrochloric Acid SCHEMBL5265526 0.86 KCNH2 (0.56) KCNH2CHRM2DRD1DPP4POLB
SCHEMBL7160246 0.85 KCNH2 (0.53) KCNH2CHRM2DRD1DPP4KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1187835-B1 OPTICALLY ACTIVE QUINOLINE CARBOXYLIC ACID DERIVATIVES HAVING 7-PYRROLIDINE SUBSTITUTES CAUSING OPTICAL ACTIVITY AND A PROCESS FOR PREPARING THEREOF DONG WHA PHARM IND CO LTD (KR) 2007-12-26 EP disclosed
US-6753430-B2 GRAM-POSITIVE BACTERIA; METHICILLINE-RESISTANT STAPHYLOCOCCI; NONPHYTOTOXIC; 1,8-NAPHTHYRI-4-DONE DERIVATIVES DONG WHA PHARM. IND. CO., LTD (KR) 2004-06-22 US disclosed
US-20040029915-A1 Optically active quinoline carboxylic acid derivatives with 7-pyrrolidine substituents causing optical activity and a process for the preparation thereof ARIBIO CO., LTD. (KR) 2004-02-12 US disclosed
US-6649763-B1 Nonphototoxic quinolone antibiotics, formed by ketalization and imination of quinoline carboxylic acid in the presence of acid acceptors DONG WHA PHARM. IND. CO., LTD. (KR) 2003-11-18 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 (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-20040029915-A1 Optically active quinoline carboxylic acid derivatives with 7-pyrrolidine substituents causing optical activity and a process for the preparation thereof CYP3A7, CYP3A5, NQO2 KCNH2 999/4885CHRM2 2483/4885DRD1 123/4885

“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.