Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2920128

COc1cc(C(=O)O)c([N+](=O)[O-])cc1OCCCN1CCCC1.Cl

nearest known ligand 0.60

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 18)

geneUniProtsupporting neighboursconfidence
ACHE known ✓ P22303 1/20 0.46
KDM4E B2RXH2 10/20 0.60
ALDH1A1 P00352 8/20 0.60
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
LMNA P02545 1/20 0.53
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
EHMT2 Q96KQ7 1/20 0.48
EHMT1 Q9H9B1 1/20 0.48
HTT P42858 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
TSHR P16473 1/20 0.47
MAPT P10636 2/20 0.47
POLB P06746 1/20 0.47
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL7838137 0.99 KDM4E (0.61) KDM4EALDH1A1KMT2AMEN1LMNA
SCHEMBL5567501 0.89 KDM4E (0.64) KDM4EALDH1A1KMT2ALMNANPC1
SCHEMBL7526518 0.89 KDM4E (0.64) KDM4EALDH1A1KMT2ALMNANPC1
SCHEMBL19260738 0.89 ALDH1A1 (0.54) KDM4EALDH1A1KMT2AMEN1LMNA
SCHEMBL2927309 0.89 ALDH1A1 (0.54) KDM4EALDH1A1KMT2AMEN1LMNA
SCHEMBL13168043 0.85 ALDH1A1 (0.56) KDM4EALDH1A1KMT2AMEN1LMNA
SCHEMBL2150376 0.85 HTT (0.53) KDM4EKMT2AMEN1LMNANPC1
Trifluoroacetic Acid SCHEMBL5501485 0.84 KDM4E (0.58) KDM4EALDH1A1KMT2ALMNANPC1
SCHEMBL28744766 0.84 ALDH1A1 (0.52) KDM4EALDH1A1KMT2AMEN1LMNA
SCHEMBL29620246 0.84 HTT (0.52) KDM4EALDH1A1KMT2AMEN1LMNA

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
US-8492560-B2 Quinazoline derivatives as angiogenesis inhibitors ASTRAZENECA AB (SE) 2013-07-23 US disclosed
US-20120197027-A1 Quinazoline Derivatives as Angiogenesis Inhibitors STOKES ELAINE S E (GB) 2012-08-02 US disclosed
EP-1553097-B1 QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS AND INTERMEDIATES THEREFORE ASTRAZENECA AB (SE) 2010-09-29 EP disclosed
EP-2050744-A1 Quinazoline derivatives as angiogenesis inhibitors AstraZeneca AB (SE) 2009-04-22 EP disclosed
EP-1381599-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2008-09-24 EP disclosed
US-7223756-B2 Quinazoline compounds with therapeutic use ASTRAZENECA AB (SE) 2007-05-29 US disclosed
EP-1453492-B1 USE OF QUINAZOLINES TO TREAT T-CELL MEDIATED DISEASES ASTRAZENECA AB (SE) 2007-01-24 EP disclosed
US-7157467-B2 Administering compound such as 6-methoxy-4-(2,3-methylenedioxyanilino)-7-(3-morpholinopropoxy)quinazoline for therapy of an autoimmune disease or medical condition selected from transplant rejection and rheumatoid arthritis ASTRAZENECA AB (SE) 2007-01-02 US disclosed
US-7141577-B2 Quinazoline derivatives ASTRAZENECA AB (SE) 2006-11-28 US disclosed
US-7115615-B2 Quinazoline derivatives ASTRAZENECA (SE) 2006-10-03 US disclosed
US-20040138240-A1 Quinazoline derivatives ASTRAZENECA AB (SE) 2004-07-15 US disclosed
US-20040048881-A1 Quinazoline derivatives with anti-tumour activity ASTRAZENECA AB (SE) 2004-03-11 US disclosed
US-20040044015-A1 Quinazoline derivatives ASTRAZENECA AB (SE) 2004-03-04 US disclosed
EP-0912557-B1 OXINDOLE DERIVATIVES ASTRAZENECA AB (SE) 2003-07-09 EP disclosed
WO-2002092577-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2002-11-21 WO disclosed
EP-1154774-A1 QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS AstraZeneca AB (SE) 2001-11-21 EP disclosed
US-6265411-B1 ANGIOGENESIS INHIBITOR ZENECA LIMITED (GB) 2001-07-24 US disclosed
WO-2000047212-A1 QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ASTRAZENECA AB (SE) 2000-08-17 WO disclosed
EP-0912557-A1 OXINDOLE DERIVATIVES ZENECA LIMITED (GB) 1999-05-06 EP disclosed
WO-1997042187-A1 OXINDOLE DERIVATIVES ZENECA LIMITED (GB) 1997-11-13 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 (4 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-20040044015-A1 Quinazoline derivatives NQO2, NRAS, TOP1 ACHE 1648/4885KDM4E 3469/4885ALDH1A1 1295/4885
US-20040138240-A1 Quinazoline derivatives NQO2, WEE1, CMA1 ACHE 1022/4885KDM4E 1632/4885ALDH1A1 1564/4885
US-20040048881-A1 Quinazoline derivatives with anti-tumour activity TOP1, NQO2, ABCC1 ACHE 1403/4885KDM4E 3597/4885ALDH1A1 1004/4885
US-20120197027-A1 Quinazoline Derivatives as Angiogenesis Inhibitors VEGFA, FLT1, KDR ACHE 3257/4885KDM4E 2055/4885ALDH1A1 822/4885

“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.