Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2137491

Cl.Nc1c(F)cc(Cl)cc1F

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
CA2 known ✓ P00918 3/20 0.40
HDAC1 known ✓ Q13547 1/20 0.38
HDAC6 known ✓ Q9UBN7 1/20 0.38
HTR2A known ✓ P28223 1/20 0.33
HTR2C known ✓ P28335 1/20 0.33
HTR2B known ✓ P41595 1/20 0.33
GAA known ✓ P10253 1/20 0.32
CYP3A4 P08684 4/20 0.43
TP53 P04637 2/20 0.43
CA1 P00915 3/20 0.40
CA9 Q16790 3/20 0.40
TSHR P16473 4/20 0.39
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
ALDH1A1 P00352 6/20 0.35
IDO1 P14902 2/20 0.32
ALOX15 P16050 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL2140713 0.97 CYP3A4 (0.45) CYP3A4TP53CA1CA2CA9
SCHEMBL405700 0.83 CYP3A4 (0.40) CYP3A4TP53CA1CA2CA9
SCHEMBL31213266 0.83 CYP3A4 (0.40) CYP3A4TP53CA1CA2CA9
SCHEMBL17650186 0.83 CA1 (0.52) CYP3A4TP53CA1CA2CA9
SCHEMBL19914268 0.79 ALDH1A1 (0.41) CYP3A4TP53CA1CA2CA9
SCHEMBL1639839 0.79 CA1 (0.50) CYP3A4TP53CA1CA2CA9
SCHEMBL8058631 0.79 CYP3A4 (0.40) CYP3A4TP53CA1CA2CA9
SCHEMBL405696 0.79 CA1 (0.48) CYP3A4TP53CA1CA2CA9
SCHEMBL25366010 0.76 LOXL2 (0.36) CYP3A4TP53CA1CA2CA9
SCHEMBL20670942 0.74 ERN1 (0.48) CYP3A4TP53CA1CA2CA9

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114163295-A Preparation method of 3, 5-difluorochlorobenzene 大连奇凯医药科技有限公司 2022-03-11 CN claimed
CN-114163295-A Preparation method of 3, 5-difluorochlorobenzene 大连奇凯医药科技有限公司 2022-03-11 CN disclosed
CN-114163295-A Preparation method of 3, 5-difluorochlorobenzene 大连奇凯医药科技有限公司 2022-03-11 CN disclosed
US-20210276972-A1 Quinazoline Derivatives as VEGF Inhibitors GENZYME CORPORATION (US) 2021-09-09 US disclosed
US-20200262811-A1 Quinazoline Derivatives as VEGF Inhibitors GENZYME CORPORATION (US) 2020-08-20 US disclosed
US-10457664-B2 Quinazoline derivatives as VEGF inhibitors GENZYME CORPORATION (US) 2019-10-29 US disclosed
US-20190002433-A1 Quinazoline Derivatives as VEGF Inhibitors GENZYME CORPORATION (US) 2019-01-03 US disclosed
US-20180099946-A1 Quinazoline Derivatives as VEGF Inhibitors GENZYME CORPORATION (US) 2018-04-12 US disclosed
US-20160130249-A1 Quinazoline Derivatives as VEGF Inhibitors ASTRAZENECA AB (SE) 2016-05-12 US disclosed
US-9040548-B2 Quinazoline derivatives as VEGF inhibitors ASTRAZENECA AB (SE) 2015-05-26 US disclosed
EP-1244647-B1 QUINAZOLINE DERIVATIVES AS VEGF INHIBITORS ASTRAZENECA AB (SE) 2006-06-21 EP disclosed
CN-1125817-C Quinazoline derivatives as VEGF inhibitors ZENECA LTD (GB) 2003-10-29 CN disclosed
EP-0880508-B1 QUINAZOLINE DERIVATIVES AS VEGF INHIBITORS ASTRAZENECA AB (SE) 2003-04-16 EP disclosed
CN-1387527-A Quinazoline derivatives as VEGF inhibitors ASTRAZENECA AB (SE) 2002-12-25 CN disclosed
EP-1244647-A1 QUINAZOLINE DERIVATIVES AS VEGF INHIBITORS AstraZeneca AB (SE) 2002-10-02 EP disclosed
WO-2001032651-A1 QUINAZOLINE DERIVATIVES AS VEGF INHIBITORS ASTRAZENECA AB (SE) 2001-05-10 WO disclosed
US-6184225-B1 ENDOTHELIAL GROWTH FACTOR INHIBITORS, ANGIOGENESIS INHIBITORS ZENECA LIMITED (GB) 2001-02-06 US disclosed
CN-1211239-A Quinazoline derivatives as VEGF inhibitors ZENECA LTD (GB) 1999-03-17 CN disclosed
EP-0880508-A1 QUINAZOLINE DERIVATIVES AS VEGF INHIBITORS ZENECA LIMITED (GB) 1998-12-02 EP disclosed
WO-1997030035-A1 QUINAZOLINE DERIVATIVES AS VEGF INHIBITORS ZENECA LIMITED (GB) 1997-08-21 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-20180099946-A1 Quinazoline Derivatives as VEGF Inhibitors FLT4, FLT1, KDR CA2 1937/4885HDAC1 1604/4885HDAC6 2844/4885
US-20210276972-A1 Quinazoline Derivatives as VEGF Inhibitors FLT1, FLT4, KDR CA2 2164/4885HDAC1 2132/4885HDAC6 3137/4885
US-10457664-B2 Quinazoline derivatives as VEGF inhibitors FLT1, FLT4, KDR CA2 1834/4885HDAC1 1970/4885HDAC6 2999/4885
US-20160130249-A1 Quinazoline Derivatives as VEGF Inhibitors FLT1, FLT4, KDR CA2 1909/4885HDAC1 1956/4885HDAC6 3041/4885
US-20200262811-A1 Quinazoline Derivatives as VEGF Inhibitors FLT1, FLT4, KDR CA2 1909/4885HDAC1 1956/4885HDAC6 3041/4885
US-20190002433-A1 Quinazoline Derivatives as VEGF Inhibitors FLT1, FLT4, KDR CA2 1834/4885HDAC1 1970/4885HDAC6 2999/4885

“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.