Hydrochloric Acid

Hydrochloric Acid

SCHEMBL14336010

Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CCN)c2cc1C.Cl

nearest known ligand 0.68

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
▸ ESR1 known ✓ P03372 1/20 0.53
▸ NR3C1 known ✓ P04150 1/20 0.53
▸ ADRB2 known ✓ P07550 1/20 0.53
▸ HTR2C known ✓ P28335 1/20 0.53
▸ ADRA1A known ✓ P35348 1/20 0.53
▸ PTGS2 known ✓ P35354 1/20 0.53
▸ NTRK1 known ✓ P04629 1/20 0.52
▸ AGTR1 known ✓ P30556 1/20 0.42
▸ GAA known ✓ P10253 1/20 0.42
▸ GLA known ✓ P06280 1/20 0.38
▸ JAK2 known ✓ O60674 1/20 0.35
▸ JAK1 known ✓ P23458 1/20 0.35
▸ MEN1 O00255 6/20 0.68
▸ KMT2A Q03164 6/20 0.68
▸ KDM4E B2RXH2 5/20 0.68
▸ USP2 O75604 4/20 0.68
▸ MAPT P10636 3/20 0.68
▸ HTT P42858 3/20 0.68
▸ TDP1 Q9NUW8 2/20 0.68
▸ RXFP1 Q9HBX9 2/20 0.68

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 SCHEMBL31440762 1.00 MEN1 (0.68) MEN1KMT2AKDM4EUSP2MAPT
SCHEMBL864193 0.99 MEN1 (0.69) MEN1KMT2AKDM4EUSP2MAPT
Trifluoroacetic Acid SCHEMBL863616 0.89 MEN1 (0.64) MEN1KMT2AKDM4EUSP2MAPT
Hydrochloric Acid SCHEMBL15901314 0.89 MEN1 (0.61) MEN1KMT2AKDM4EUSP2MAPT
Hydrochloric Acid SCHEMBL15901228 0.88 MEN1 (0.60) MEN1KMT2AKDM4EUSP2MAPT
Hydrochloric Acid SCHEMBL15665822 0.88 MEN1 (0.69) MEN1KMT2AKDM4EUSP2MAPT
SCHEMBL15908052 0.87 MEN1 (0.62) MEN1KMT2AKDM4EUSP2MAPT
SCHEMBL20906884 0.87 MEN1 (0.71) MEN1KMT2AKDM4EUSP2MAPT
SCHEMBL15908039 0.86 MEN1 (0.61) MEN1KMT2AKDM4EUSP2MAPT
SCHEMBL15705631 0.86 MEN1 (0.70) MEN1KMT2AKDM4EUSP2MAPT

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
EP-3492104-B1 USE OF 10H-BENZO [G] PTERIDIN-2,4-DION DERIVATIVES TRIOPTOTEC GMBH (DE) 2023-02-15 — — EP disclosed
EP-3492104-A1 USE OF 10H-BENZO [G] PTERIDIN-2,4-DION DERIVATIVES Trioptotec GmbH (DE) 2019-06-05 — — EP disclosed
US-20190111168-A1 PHOTOSENSITIZER DISPERSION, AND USE THEREOF UNIVERSITÄT REGENSBURG (DE) 2019-04-18 — — US disclosed
US-10227348-B2 Use of 10H-benzo[g]pteridine-2,4-dione derivatives TRIOPTOTEC GMBH (DE) 2019-03-12 — — US disclosed
EP-2723342-B1 USE OF 10H-BENZO[G]PTERIDINE-2,4-DIONE DERIVATIVES TRIOPTOTEC GMBH (DE) 2018-12-05 — — EP disclosed
US-20180009812-A1 USE OF 10H-BENZO[G]PTERIDINE-2,4-DIONE DERIVATIVES TRIOPTOTEC GMBH (DE) 2018-01-11 — — US disclosed
US-9796715-B2 Use of 10H-benzo[g]pteridine-2,4-dione derivatives TRIOPTOTEC GMBH (DE) 2017-10-24 — — US disclosed
US-20140128403-A1 USE OF 10H-BENZO[G]PTERIDINE-2,4-DIONE DERIVATIVES TRIOPTOTEC GMBH (DE) 2014-05-08 — — US disclosed
EP-2723342-A1 USE OF 10H-BENZO[G]PTERIDINE-2,4-DIONE DERIVATIVES Trioptotec GmbH (DE) 2014-04-30 — — EP disclosed
WO-2012175706-A1 USE OF 10H-BENZO[G]PTERIDINE-2,4-DIONE DERIVATIVES TriOpto Tec GmbH (DE) 2012-12-27 — — 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-20180009812-A1 USE OF 10H-BENZO[G]PTERIDINE-2,4-DIONE DERIVATIVES DHPS, DPYD, MPG ESR1 3283/4885NR3C1 4537/4885ADRB2 4581/4885
US-20140128403-A1 USE OF 10H-BENZO[G]PTERIDINE-2,4-DIONE DERIVATIVES DHPS, DPYD, MPG ESR1 3283/4885NR3C1 4537/4885ADRB2 4581/4885
US-10227348-B2 Use of 10H-benzo[g]pteridine-2,4-dione derivatives DHPS, DPYD, MPG ESR1 3283/4885NR3C1 4537/4885ADRB2 4581/4885
US-20190111168-A1 PHOTOSENSITIZER DISPERSION, AND USE THEREOF PPOX, ALAD, PPID ESR1 3828/4885NR3C1 4808/4885ADRB2 4620/4885

“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.

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