Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2566972

Cl.O=c1c(-n2cnc(C(F)(F)F)c2)c[nH]n1-c1ccc(CO)cn1

nearest known ligand 0.98

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 9)

geneUniProtsupporting neighboursconfidence
PDE3B known ✓ Q13370 1/20 0.34
EGLN2 Q96KS0 8/20 0.98
VHL P40337 2/20 0.47
EGLN1 Q9GZT9 8/20 0.39
P4HTM Q9NXG6 2/20 0.36
TET2 Q6N021 1/20 0.34
OGFOD1 Q8N543 1/20 0.34
TET1 Q8NFU7 1/20 0.34
HIF1AN Q9NWT6 1/20 0.34

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
SCHEMBL2573299 0.99 EGLN2 (1.00) EGLN2VHLEGLN1P4HTMPDE3B
Hydrochloric Acid SCHEMBL2569956 0.84 EGLN2 (0.70) EGLN2EGLN1P4HTMPDE3BTET2
SCHEMBL4752172 0.84 EGLN2 (0.73) EGLN2VHLEGLN1P4HTMTET2
SCHEMBL4251308 0.83 EGLN2 (0.72) EGLN2EGLN1P4HTMPDE3BTET2
SCHEMBL4254990 0.83 EGLN2 (0.72) EGLN2EGLN1P4HTMPDE3BTET2
SCHEMBL8198455 0.82 EGLN2 (0.71) EGLN2EGLN1P4HTMTET2OGFOD1
SCHEMBL12997278 0.81 EGLN2 (0.70) EGLN2VHLEGLN1P4HTMTET2
Hydrochloric Acid SCHEMBL2572535 0.81 EGLN2 (0.66) EGLN2EGLN1P4HTMPDE3BTET2
SCHEMBL12997303 0.80 EGLN2 (0.68) EGLN2VHLEGLN1P4HTM
SCHEMBL4752307 0.80 EGLN2 (0.67) EGLN2EGLN1P4HTMPDE3BTET2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160229858-A1 SUBSTITUTED DIHYDROPYRAZOLONES FOR TREATING CARDIOVASCULAR AND HEMATOLOGICAL DISEASES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-08-11 US claimed
US-8653111-B2 Substituted dihydropyrazolones for treating cardiovascular and hematological diseases BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-02-18 US claimed
US-20120121727-A1 SUBSTITUTED DIHYDROPYRAZOLONES FOR TREATING CARDIOVASCULAR AND HEMATOLOGICAL DISEASES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-05-17 US claimed
EP-2383269-B1 Substituted Dihydropyrazolones for the treatment of cardiovascular diseases BAYER IP GMBH (DE) 2017-01-18 EP disclosed
US-20160229858-A1 SUBSTITUTED DIHYDROPYRAZOLONES FOR TREATING CARDIOVASCULAR AND HEMATOLOGICAL DISEASES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-08-11 US disclosed
US-9168249-B2 Substituted dihydropyrazolones for treating cardiovascular and hematological diseases BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-10-27 US disclosed
US-20150148381-A1 SUBSTITUTED DIHYDROPYRAZOLONES FOR TREATING CARDIOVASCULAR AND HEMATOLOGICAL DISEASES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-05-28 US disclosed
US-8987261-B2 Substituted dihydropyrazolones for treating cardiovascular and hematological diseases BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-03-24 US disclosed
EP-2546253-B1 SUBSTITUTED DIHYDROPYRAZOLONES FOR THE TREATMENT OF CARDIOVASCULAR AND HEMATOLOGICAL DISEASES BAYER IP GMBH (DE) 2015-01-14 EP disclosed
US-8653111-B2 Substituted dihydropyrazolones for treating cardiovascular and hematological diseases BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-02-18 US disclosed
US-20140031329-A1 SUBSTITUTED DIHYDROPYRAZOLONES FOR TREATING CARDIOVASCULAR AND HEMATOLOGICAL DISEASES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-01-30 US disclosed
US-8389520-B2 Substituted dihydropyrazolones for treating cardiovascular and hematological diseases BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-03-05 US disclosed
EP-2546253-A1 SUBSTITUTED DIHYDROPYRAZOLONES FOR THE TREATMENT OF CARDIOVASCULAR AND HEMATOLOGICAL DISEASES Bayer Intellectual Property GmbH (DE) 2013-01-16 EP disclosed
US-20120121727-A1 SUBSTITUTED DIHYDROPYRAZOLONES FOR TREATING CARDIOVASCULAR AND HEMATOLOGICAL DISEASES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-05-17 US disclosed
EP-2383269-A2 Substituted Dihydropyrazolones for the treatment of cardiovascular diseases Bayer Pharma AG (DE) 2011-11-02 EP disclosed
US-20100305085-A1 SUBSTITUTED DIHYDROPYRAZOLONES FOR TREATING CARDIOVASCULAR AND HEMATOLOGICAL DISEASES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-12-02 US disclosed
EP-2212284-A2 CALCIUM RECEPTOR MODULATING AGENTS Amgen Inc. (US) 2010-08-04 EP disclosed
EP-2084151-A1 SUBSTITUTED DIHYDROPYRAZOLONES FOR TREATING CARDIOVASCULAR AND HAEMATOLOGICAL DISEASES Bayer HealthCare AG (DE) 2009-08-05 EP disclosed
WO-2009051718-A2 CALCIUM RECEPTOR MODULATING AGENTS AMGEN INC. (US) 2009-04-23 WO disclosed
WO-2008067871-A1 SUBSTITUTED DIHYDROPYRAZOLONES FOR TREATING CARDIOVASCULAR AND HAEMATOLOGICAL DISEASES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-06-12 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 (5 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-20140031329-A1 SUBSTITUTED DIHYDROPYRAZOLONES FOR TREATING CARDIOVASCULAR AND HEMATOLOGICAL DISEASES THPO, PFKP, DCK PDE3B 970/4885EGLN2 250/4885VHL 6/4885
US-20160229858-A1 SUBSTITUTED DIHYDROPYRAZOLONES FOR TREATING CARDIOVASCULAR AND HEMATOLOGICAL DISEASES THPO, PFKP, DCK PDE3B 970/4885EGLN2 250/4885VHL 6/4885
US-20100305085-A1 SUBSTITUTED DIHYDROPYRAZOLONES FOR TREATING CARDIOVASCULAR AND HEMATOLOGICAL DISEASES THPO, PFKP, HPGDS PDE3B 434/4885EGLN2 44/4885VHL 5/4885
US-20120121727-A1 SUBSTITUTED DIHYDROPYRAZOLONES FOR TREATING CARDIOVASCULAR AND HEMATOLOGICAL DISEASES THPO, PFKP, DCK PDE3B 970/4885EGLN2 250/4885VHL 6/4885
US-20150148381-A1 SUBSTITUTED DIHYDROPYRAZOLONES FOR TREATING CARDIOVASCULAR AND HEMATOLOGICAL DISEASES THPO, PFKP, DCK PDE3B 970/4885EGLN2 250/4885VHL 6/4885

“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.