Hydrochloric Acid

Hydrochloric Acid

SCHEMBL16736724

CCn1c(C)nc2cc(N)ccc21.Cl.Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

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 0.52
HDAC1 known ✓ Q13547 1/20 0.48
HDAC8 known ✓ Q9BY41 1/20 0.48
KDM4E B2RXH2 7/20 1.00
RAD52 P43351 1/20 1.00
TDP1 Q9NUW8 2/20 0.60
KMT2A Q03164 1/20 0.60
ALDH1A1 P00352 4/20 0.53
HTT P42858 4/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
LMNA P02545 3/20 0.52
CYP1A2 P05177 1/20 0.52
MAPT P10636 2/20 0.51
GFER P55789 2/20 0.51
RAB9A P51151 3/20 0.50
TSHR P16473 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
APOBEC3A P31941 1/20 0.48
APOBEC3G Q9HC16 1/20 0.48
HPGD P15428 2/20 0.48

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 SCHEMBL6605580 1.00 KDM4E (1.00) KDM4ERAD52TDP1KMT2AALDH1A1
SCHEMBL616998 0.98 KDM4E (0.97) KDM4ERAD52TDP1KMT2AALDH1A1
SCHEMBL615475 0.85 KDM4E (0.73) KDM4ERAD52TDP1KMT2AALDH1A1
SCHEMBL938178 0.83 KDM4E (0.70) KDM4ERAD52TDP1KMT2AALDH1A1
SCHEMBL10989096 0.81 KDM4E (0.68) KDM4ERAD52TDP1KMT2AHTT
SCHEMBL11440211 0.81 KDM4E (0.73) KDM4ERAD52TDP1KMT2AALDH1A1
SCHEMBL617943 0.81 KDM4E (0.68) KDM4ERAD52TDP1KMT2AALDH1A1
SCHEMBL623760 0.80 KDM4E (0.66) KDM4ERAD52TDP1KMT2AALDH1A1
SCHEMBL24900472 0.78 KDM4E (0.64) KDM4ERAD52TDP1KMT2AALDH1A1
SCHEMBL617824 0.78 TNF (0.68) KDM4ERAD52TDP1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200061063-A1 BICYCLICALLY SUBSTITUTED URACILS AND THE USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-02-27 US disclosed
CN-106983751-B Bicyclic substituted uracils and their use 拜耳医药股份有限公司 2020-01-07 CN disclosed
US-10300062-B2 Bicyclically substituted uracils and the use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-05-28 US disclosed
US-20180256576-A1 BICYCLICALLY SUBSTITUTED URACILS AND THE USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-09-13 US disclosed
US-9949978-B2 Bicyclically substituted uracils and the use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-04-24 US disclosed
US-9949977-B2 Bicyclically substituted uracils and the use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-04-24 US disclosed
EP-3045456-B1 BICYCLIC SUBSTITUTED URACILS AND THEIR USE Bayer Pharma AG (DE) 2017-10-25 EP disclosed
CN-106983751-A Two ring substituted uracils and application thereof 拜耳医药股份有限公司 2017-07-28 CN disclosed
CN-104395310-B Bicyclic substituted uracils and their use 拜耳药业股份公司 2017-05-03 CN disclosed
US-20170020876-A1 BICYCLICALLY SUBSTITUTED URACILS AND THE USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-01-26 US disclosed
US-20170020875-A1 BICYCLICALLY SUBSTITUTED URACILS AND THE USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-01-26 US disclosed
US-9481672-B2 Bicyclically substituted uracils and the use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-11-01 US disclosed
EP-3045456-A1 BICYCLIC SUBSTITUTED URACILS AND THEIR USE Bayer Pharma Aktiengesellschaft (DE) 2016-07-20 EP disclosed
EP-2847190-B1 BICYCLICALLY SUBSTITUTED URACILS AND THE USE THEREOF Bayer Pharma AG (DE) 2016-04-06 EP disclosed
US-20150148340-A1 BICYCLICALLY SUBSTITUTED URACILS AND THE USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-05-28 US disclosed
CN-104395310-A Bicyclic substituted uracils and their use Bayer Pharma AG 2015-03-04 CN 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-20170020875-A1 BICYCLICALLY SUBSTITUTED URACILS AND THE USE THEREOF UNG, UMPS, TYMP GAA 517/4885HDAC1 2511/4885HDAC8 2817/4885
US-20170020876-A1 BICYCLICALLY SUBSTITUTED URACILS AND THE USE THEREOF UNG, UMPS, TYMP GAA 517/4885HDAC1 2511/4885HDAC8 2817/4885
US-10300062-B2 Bicyclically substituted uracils and the use thereof UNG, UMPS, TYMP GAA 517/4885HDAC1 2511/4885HDAC8 2817/4885
US-20200061063-A1 BICYCLICALLY SUBSTITUTED URACILS AND THE USE THEREOF UNG, UMPS, TYMP GAA 517/4885HDAC1 2511/4885HDAC8 2817/4885
US-20150148340-A1 BICYCLICALLY SUBSTITUTED URACILS AND THE USE THEREOF UNG, UMPS, TYMP GAA 517/4885HDAC1 2511/4885HDAC8 2817/4885
US-20180256576-A1 BICYCLICALLY SUBSTITUTED URACILS AND THE USE THEREOF UNG, UMPS, TYMP GAA 517/4885HDAC1 2511/4885HDAC8 2817/4885

“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.