Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7370334

CCS(=O)(=O)c1ccccc1CN.Cl

nearest known ligand 0.44

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
GAA known ✓ P10253 2/20 0.39
DPP4 known ✓ P27487 2/20 0.36
ADRA2A known ✓ P08913 1/20 0.34
ADRA2C known ✓ P18825 1/20 0.34
ADRA1D known ✓ P25100 1/20 0.34
ADRA1A known ✓ P35348 1/20 0.34
ADRA1B known ✓ P35368 1/20 0.34
CA2 known ✓ P00918 1/20 0.33
HSD11B1 known ✓ P28845 1/20 0.33
LOXL2 Q9Y4K0 2/20 0.44
PSIP1 O75475 2/20 0.43
CTSB P07858 1/20 0.40
PNMT P11086 2/20 0.39
LOX P28300 1/20 0.36
PLCG1 P19174 1/20 0.35
DDR1 Q08345 2/20 0.35
CA1 P00915 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL4598904 0.98 PSIP1 (0.45) LOXL2PSIP1CTSBGAAPNMT
Hydrochloric Acid SCHEMBL3858436 0.87 LOXL2 (0.41) LOXL2PSIP1CTSBGAAPNMT
SCHEMBL14009378 0.85 LOXL2 (0.40) LOXL2PSIP1CTSBGAAPNMT
SCHEMBL10179924 0.83 CTSB (0.53) LOXL2PSIP1CTSBPLCG1DDR1
SCHEMBL4598969 0.82 TAAR1 (0.48) LOXL2PSIP1CTSBGAA
Hydrochloric Acid SCHEMBL1263253 0.82 ALOX5AP (0.38) LOXL2CTSBPNMTDPP4LOX
Hydrochloric Acid SCHEMBL1660031 0.82 LOX (0.47) LOXL2CTSBGAAPNMTDPP4
Hydrochloric Acid SCHEMBL567914 0.82 LOX (0.47) LOXL2CTSBGAAPNMTDPP4
SCHEMBL14009331 0.79 ALOX5AP (0.39) LOXL2CTSBPNMTDPP4LOX
Hydrochloric Acid SCHEMBL3406090 0.79 CA2 (0.50) LOXL2PNMTDPP4CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10005739-B2 Quinazolinone and isoquinolinone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2018-06-26 US disclosed
US-9567304-B2 Quinazolinedione derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2017-02-14 US disclosed
EP-2842946-B1 QUINAZOLINEDIONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2016-09-28 EP disclosed
US-20160272595-A1 QUINAZOLINONE AND ISOQUINOLINONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-09-22 US disclosed
EP-3061749-A1 QUINAZOLINONE AND ISOQUINOLINONE DERIVATIVE Chugai Seiyaku Kabushiki Kaisha (JP) 2016-08-31 EP disclosed
US-20150141400-A1 QUINAZOLINEDIONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-05-21 US disclosed
EP-2842946-A1 QUINAZOLINEDIONE DERIVATIVE Chugai Seiyaku Kabushiki Kaisha (JP) 2015-03-04 EP disclosed
EP-1259506-A1 PYRAZINONE THROMBIN INHIBITORS Merck & Co., Inc. (US) 2002-11-27 EP disclosed
US-6387911-B1 Pyrazinone thrombin inhibitors MERCK & CO., INC. 2002-05-14 US disclosed
WO-2001038323-A1 PYRAZINONE THROMBIN INHIBITORS MERCK & CO., INC. (US) 2001-05-31 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 (3 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-20160272595-A1 QUINAZOLINONE AND ISOQUINOLINONE DERIVATIVE NQO2, SDHA, CYP3A5 GAA 1500/4885DPP4 984/4885ADRA2A 954/4885
US-10005739-B2 Quinazolinone and isoquinolinone derivative NQO2, SDHA, CYP3A5 GAA 1500/4885DPP4 984/4885ADRA2A 954/4885
US-20150141400-A1 QUINAZOLINEDIONE DERIVATIVE PPARD, SLC5A2, PPARG GAA 1107/4885DPP4 10/4885ADRA2A 234/4885

“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.