SCHEMBL4527045

SCHEMBL4527045

O=C(O)c1cccc(-c2ccc3[nH]c(COc4ccc(C(F)(F)F)cc4)nc3c2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 5/20 0.55
RXRA P19793 1/20 0.52
NR1H2 P55055 1/20 0.52
NR1H3 Q13133 1/20 0.52
PPARA Q07869 1/20 0.48
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
MAOB P27338 1/20 0.46
PTPN11 Q06124 1/20 0.46
BCL2L1 Q07817 1/20 0.45
MCL1 Q07820 1/20 0.45
NR4A2 P43354 2/20 0.45
PPARD Q03181 1/20 0.45
FFAR1 O14842 2/20 0.44
KDM4C Q9H3R0 1/20 0.44
NPC1 O15118 1/20 0.43
TP53 P04637 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
SCHEMBL4531371 0.91 PPARD (0.52) MRGPRX4RXRANR1H2NR1H3PPARA
SCHEMBL4553440 0.90 SMN1; SMN2 (0.48) MRGPRX4RXRANR1H2NR1H3ALDH1A1
SCHEMBL4529910 0.88 RAB9A (0.53) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL4536368 0.87 MAOB (0.45) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL13637818 0.85 MAOB (0.45) RXRANR1H2NR1H3ALDH1A1CYP1A2
SCHEMBL4554546 0.84 FFAR1 (0.46) MRGPRX4ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL4529815 0.84 MAOB (0.45) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL4523255 0.84 NPC1 (0.51) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL4521977 0.83 KDM4C (0.48) MRGPRX4ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL4526333 0.83 MAOB (0.47) PPARAALDH1A1CYP1A2CYP3A4CYP2D6

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 MRGPRX4 37/4885RXRA 2264/4885NR1H2 947/4885

“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.