SCHEMBL4553440

SCHEMBL4553440

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.48
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.48
ALDH1A1 P00352 3/20 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
MRGPRX4 Q96LA9 3/20 0.46
RXRA P19793 1/20 0.45
NR1H2 P55055 1/20 0.45
NR1H3 Q13133 1/20 0.45
MAOB P27338 1/20 0.44
BCL2L1 Q07817 1/20 0.43
MCL1 Q07820 1/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
LMNA P02545 2/20 0.42
HTT P42858 2/20 0.42
PKM P14618 1/20 0.42

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
SCHEMBL4554804 0.92 SMN1; SMN2 (0.53) SMN1; SMN2MAPTMAPK1ALDH1A1CYP1A2
SCHEMBL4527045 0.90 MRGPRX4 (0.55) SMN1; SMN2ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL4554407 0.84 ALDH1A1 (0.45) SMN1; SMN2MAPTALDH1A1CYP1A2CYP3A4
SCHEMBL4528019 0.84 ALDH1A1 (0.46) SMN1; SMN2MAPTMAPK1ALDH1A1CYP1A2
SCHEMBL4536368 0.84 MAOB (0.45) SMN1; SMN2MAPK1ALDH1A1CYP1A2CYP3A4
SCHEMBL13637818 0.84 MAOB (0.45) SMN1; SMN2ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL4523255 0.83 NPC1 (0.51) SMN1; SMN2MAPK1ALDH1A1CYP1A2CYP3A4
SCHEMBL4529910 0.83 RAB9A (0.53) SMN1; SMN2MAPK1ALDH1A1CYP1A2CYP3A4
SCHEMBL4531371 0.82 PPARD (0.52) SMN1; SMN2MAPK1ALDH1A1CYP1A2CYP3A4
SCHEMBL13628971 0.82 SMN1; SMN2 (0.57) SMN1; SMN2MAPTMAPK1ALDH1A1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080146637-A1 BENZIMIDAZOLE TRPV1 INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-06-19 US claimed
EP-2124563-B1 BENZIMIDAZOLE TRPV1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2015-07-29 EP disclosed
EP-2124563-A1 BENZIMIDAZOLE TRPV1 INHIBITORS Janssen Pharmaceutica, N.V. (BE) 2009-12-02 EP disclosed
WO-2008076752-A1 BENZIMIDAZOLE TRPV1 INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-06-26 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-20080146637-A1 BENZIMIDAZOLE TRPV1 INHIBITORS TRPV1, TRPV2, TRPA1 SMN1; SMN2 4288/4885MAPT 1648/4885MAPK1 2548/4885

“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.