Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5401798

Cc1cc([N+](=O)[O-])c2c(c1Oc1ccc(OCc3ccccc3)c(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)c1)CCC2.[Cl-]

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA

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 12)

geneUniProtsupporting neighboursconfidence
THRB P10828 9/20 0.39
THRA P10827 5/20 0.39
POLB P06746 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
ATM Q13315 1/20 0.37
MAPT P10636 4/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CTSV O60911 2/20 0.34
CTSL P07711 2/20 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
SCHEMBL5391984 0.87 THRB (0.41) THRBTHRAPOLBMEN1KMT2A
SCHEMBL5398333 0.87 THRB (0.43) THRBTHRAPOLBMEN1KMT2A
SCHEMBL5398175 0.83 THRB (0.43) THRBTHRAPOLBMEN1KMT2A
SCHEMBL5405981 0.83 THRB (0.41) THRBTHRAPOLBMEN1KMT2A
SCHEMBL5396331 0.83 THRB (0.48) THRBTHRAPOLBMEN1KMT2A
SCHEMBL5399271 0.83 POLB (0.42) THRBTHRAPOLBMEN1KMT2A
SCHEMBL5396348 0.81 POLB (0.41) THRBTHRAPOLBMEN1KMT2A
SCHEMBL5399603 0.81 MEN1 (0.52) THRBTHRAPOLBMEN1KMT2A
SCHEMBL6622481 0.80 POLB (0.41) THRBTHRAPOLBMEN1KMT2A
SCHEMBL5399711 0.80 MAPT (0.44) THRBTHRAPOLBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7230031-B2 Thyroid hormone receptor ligand, medicinal compositions containing the same and use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2007-06-12 US disclosed
US-20050085541-A1 Novel thyroid hormone receptor ligand, medicinal compositions containing the same and use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2005-04-21 US disclosed
EP-1471049-A1 NOVEL THYROID HORMONE RECEPTOR LIGAND, MEDICINAL COMPOSITIONS CONTAINING THE SAME AND USE THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2004-10-27 EP 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 (1 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-20050085541-A1 Novel thyroid hormone receptor ligand, medicinal compositions containing the same and use thereof TSHR, THRA, THRB THRB 3/4885THRA 2/4885POLB 4681/4885

“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.