Hydrochloric Acid

Hydrochloric Acid

SCHEMBL16700720

CS(=O)(=O)O.Cl.O=C(O)c1ccc(CN(Cc2ccccc2)Cc2ccc(C(=O)O)cc2)cc1.O=C(O)c1ccc(CN(Cc2ccccc2)Cc2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

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
TAS2R14 Q9NYV8 13/20 0.56
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
NR3C1 P04150 1/20 0.54
MEP1B Q16820 2/20 0.54
CXCR3 P49682 2/20 0.52
PTGES O14684 2/20 0.52
TAS2R8 Q9NYW2 1/20 0.52
PTPN1 P18031 1/20 0.50

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 SCHEMBL16700722 1.00 TAS2R14 (0.56) TAS2R14KMT2AMEN1NR3C1MEP1B
SCHEMBL16700016 0.98 TAS2R14 (0.58) TAS2R14KMT2AMEN1NR3C1MEP1B
Hydrochloric Acid SCHEMBL16699939 0.90 MEP1B (0.59) TAS2R14KMT2AMEN1MEP1BCXCR3
SCHEMBL4743378 0.88 MEP1B (0.61) TAS2R14KMT2AMEN1MEP1BCXCR3
SCHEMBL11809995 0.88 MEP1B (0.61) TAS2R14KMT2AMEN1MEP1BCXCR3
SCHEMBL16700730 0.84 NR3C1 (0.58) NR3C1PTPN1
SCHEMBL16706846 0.83 LMNA (0.62) TAS2R14KMT2AMEN1MEP1BCXCR3
SCHEMBL21940191 0.83 SRD5A2 (0.61) TAS2R14KMT2AMEN1MEP1BCXCR3
SCHEMBL20902751 0.83 MAPT (0.57) TAS2R14NR3C1MEP1BCXCR3PTGES
Benzoic Acid SCHEMBL31121247 0.82 DAO (0.61) TAS2R14KMT2AMEN1MEP1BPTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2861568-B1 TERTIARY AMINES FOR USE IN THE TREATMENT OF CARDIAC DISORDERS UNIV OSLO (NO) 2019-04-17 EP disclosed
US-9951033-B2 Tertiary amines for use in the treatment of cardiac disorders UNIVERSITETET I OSLO (NO) 2018-04-24 US disclosed
US-20170158657-A1 TERTIARY AMINES FOR USE IN THE TREATMENT OF CARDIAC DISORDERS UNIVERSITETET I OSLO (NO) 2017-06-08 US disclosed
US-9556111-B2 Tertiary amines for use in the treatment of cardiac disorders UNIVERSITETET I OSLO (NO) 2017-01-31 US disclosed
US-20150133510-A1 TERTIARY AMINES FOR USE IN THE TREATMENT OF CARDIAC DISORDERS UNIVERSITETET I OSLO (NO) 2015-05-14 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 (2 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-20170158657-A1 TERTIARY AMINES FOR USE IN THE TREATMENT OF CARDIAC DISORDERS TNNI3, TNNT2, MYLK2 TAS2R14 3501/4885KMT2A 976/4885MEN1 3450/4885
US-20150133510-A1 TERTIARY AMINES FOR USE IN THE TREATMENT OF CARDIAC DISORDERS TNNI3, TNNT2, MYLK2 TAS2R14 3766/4885KMT2A 904/4885MEN1 3518/4885

“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.