SCHEMBL4531371

SCHEMBL4531371

O=C(O)c1ccc(-c2ccc3[nH]c(COc4ccc(C(F)(F)F)cc4)nc3c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 3/20 0.52
CYP1A2 P05177 2/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
MAOB P27338 3/20 0.48
NR4A2 P43354 1/20 0.47
MRGPRX4 Q96LA9 1/20 0.47
SRD5A2 P31213 1/20 0.47
KDM4C Q9H3R0 1/20 0.46
PPARA Q07869 2/20 0.46
MAPK1 P28482 1/20 0.44
MAP2K4 P45985 1/20 0.44
MAPKAPK3 Q16644 1/20 0.44
MAPK6 Q16659 1/20 0.44
MAP4K4 O95819 1/20 0.43
CHEK2 O96017 1/20 0.43
RXRA P19793 2/20 0.43
NR1H2 P55055 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
SCHEMBL4527045 0.91 MRGPRX4 (0.55) PPARDCYP1A2ALDH1A1CYP3A4CYP2D6
SCHEMBL4554804 0.89 SMN1; SMN2 (0.53) PPARDCYP1A2ALDH1A1CYP3A4CYP2D6
SCHEMBL4526333 0.88 MAOB (0.47) PPARDCYP1A2ALDH1A1CYP3A4CYP2D6
SCHEMBL4529910 0.88 RAB9A (0.53) CYP1A2ALDH1A1CYP3A4CYP2D6CYP2C19
SCHEMBL4554556 0.85 MAOB (0.50) PPARDCYP1A2ALDH1A1CYP3A4CYP2D6
SCHEMBL13628971 0.85 SMN1; SMN2 (0.57) PPARDALDH1A1MAOBMAPK1TSHR
SCHEMBL4531813 0.85 MAOB (0.50) CYP1A2ALDH1A1CYP3A4CYP2D6CYP2C19
SCHEMBL4531947 0.85 NPC1 (0.57) PPARDCYP1A2ALDH1A1CYP3A4CYP2D6
SCHEMBL14191870 0.84 MAOB (0.45) PPARDCYP1A2ALDH1A1CYP3A4CYP2D6
SCHEMBL4554906 0.84 MAOB (0.46) PPARDCYP1A2ALDH1A1CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612211-B2 Benzimidazole TRPV1 inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2009-11-03 US disclosed
US-20080146637-A1 BENZIMIDAZOLE TRPV1 INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-06-19 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 (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-20080146637-A1 BENZIMIDAZOLE TRPV1 INHIBITORS TRPV1, TRPV2, TRPA1 PPARD 401/4885CYP1A2 865/4885ALDH1A1 747/4885

“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.