SCHEMBL13800064

SCHEMBL13800064

CCCCc1nc(Cl)cc(Cc2ccc(C(=O)O)cc2)n1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RARB P10826 6/20 0.50
AGTR1 P30556 5/20 0.48
AGTR2 P50052 5/20 0.48
CTRC Q99895 1/20 0.48
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
RARA P10276 1/20 0.45
MAPT P10636 1/20 0.45
MTOR P42345 1/20 0.45
KMT2A Q03164 1/20 0.45
MPL P40238 1/20 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
Acetic Acid SCHEMBL8808045 0.86 TLR7 (0.44) AGTR1AGTR2CTRCALDH1A1MAPT
SCHEMBL1228189 0.77 AGTR1 (0.53) RARBAGTR1AGTR2CTRCALDH1A1
Acetic Acid SCHEMBL9254240 0.75 AGTR1 (0.45) RARBAGTR1AGTR2CTRCMEN1
SCHEMBL9254231 0.73 AGTR1 (0.44) RARBAGTR1AGTR2CTRC
SCHEMBL181230 0.72 RARB (0.89) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL1577579 0.72 CTRC (0.53) RARBAGTR1AGTR2CTRC
SCHEMBL1321965 0.72 KMT2A (0.39) CTRCMEN1ALDH1A1KMT2A
SCHEMBL29894181 0.71 SRD5A2 (0.51) MEN1ALDH1A1KMT2A
SCHEMBL9337767 0.70 RARB (0.86) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL5448932 0.70 RARB (0.86) RARBMEN1ALDH1A1RARAMAPT

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
US-20090163521-A1 Novel Pyrazolopyrimidinone Derivatives ORCHID RESEARCH LABORATORIES LIMITED (IN) 2009-06-25 US disclosed
US-20090163521-A1 Novel Pyrazolopyrimidinone Derivatives ORCHID RESEARCH LABORATORIES LIMITED (IN) 2009-06-25 US disclosed
US-7365069-B2 Pyrimidone derivatives BEXEL PHARMACEUTICALS INC. (US) 2008-04-29 US disclosed
US-7365069-B2 Pyrimidone derivatives BEXEL PHARMACEUTICALS INC. (US) 2008-04-29 US disclosed
WO-2007000655-A2 NOVEL PYRAZOLOPYRIMIDINONE DERIVATIVES ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-01-04 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 (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-20090163521-A1 Novel Pyrazolopyrimidinone Derivatives CYP3A7, CYP3A5, CYP2C19 RARB 4560/4885AGTR1 1221/4885AGTR2 1052/4885

“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.