Hydrochloric Acid

Hydrochloric Acid

SCHEMBL23452425

Cl.N=C(NC(=O)O)c1ccc(CNC(=O)C2CCN2)cc1

nearest known ligand 0.50

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 8)

geneUniProtsupporting neighboursconfidence
HTR2C known ✓ P28335 5/20 0.50
HTR2B known ✓ P41595 3/20 0.50
HDAC1 known ✓ Q13547 3/20 0.45
HDAC3 known ✓ O15379 2/20 0.43
HDAC2 known ✓ Q92769 1/20 0.43
KDM4E B2RXH2 1/20 0.45
F2 P00734 8/20 0.44
MASP2 O00187 4/20 0.43

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 SCHEMBL23452421 1.00 HTR2C (0.50) HTR2CHTR2BKDM4EHDAC1F2
SCHEMBL14542806 0.85 HTR2C (0.52) HTR2CHTR2BKDM4EHDAC1F2
Hydrochloric Acid SCHEMBL30432090 0.84 MASP2 (0.59) HTR2CHTR2BHDAC1F2MASP2
SCHEMBL14161298 0.82 MASP2 (0.59) HTR2CHTR2BHDAC1F2MASP2
SCHEMBL25489409 0.82 HTR2C (0.54) HTR2CHTR2BKDM4EHDAC1F2
SCHEMBL6606024 0.82 F2 (0.61) HTR2CHTR2BF2MASP2
SCHEMBL28584441 0.79 F2 (0.46) HTR2CHTR2BKDM4EHDAC1F2
SCHEMBL26397738 0.78 HTR2C (0.59) HTR2CHTR2BKDM4EF2
Hydrochloric Acid SCHEMBL5900833 0.78 HTR2C (0.62) HTR2CHTR2BKDM4EHDAC1F2
Hydrochloric Acid SCHEMBL5900838 0.78 HTR2C (0.62) HTR2CHTR2BKDM4EHDAC1F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240092788-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION (US) 2024-03-21 US disclosed
US-11807641-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2023-11-07 US disclosed
US-11661418-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2023-05-30 US disclosed
US-20210171512-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION 2021-06-10 US disclosed
WO-2021113682-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION (US) 2021-06-10 WO disclosed
US-20210171531-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION 2021-06-10 US 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-20210171531-A1 MASP-2 INHIBITORS AND METHODS OF USE MASP2, METAP2, SPINT2 HTR2C 3776/4885HTR2B 3978/4885HDAC1 1760/4885
US-11807641-B2 MASP-2 inhibitors and methods of use MASP2, METAP2, SPINT2 HTR2C 3776/4885HTR2B 3978/4885HDAC1 1760/4885
US-20240092788-A1 MASP-2 INHIBITORS AND METHODS OF USE MASP2, METAP2, SPINT2 HTR2C 3776/4885HTR2B 3978/4885HDAC1 1760/4885
US-20210171512-A1 MASP-2 INHIBITORS AND METHODS OF USE MASP2, METAP2, SPINT2 HTR2C 3776/4885HTR2B 3978/4885HDAC1 1760/4885
US-11661418-B2 MASP-2 inhibitors and methods of use MASP2, METAP2, SPINT2 HTR2C 3776/4885HTR2B 3978/4885HDAC1 1760/4885

“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.