SCHEMBL4554407

SCHEMBL4554407

CC(=O)Nc1cccc(-c2ccc3[nH]c(COc4ccc(C(F)(F)F)cc4)nc3c2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 3/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
MGLL Q99685 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 1/20 0.45
TTK P33981 1/20 0.44
MAPK8 P45983 1/20 0.44
SYK P43405 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAOB P27338 1/20 0.44
F10 P00742 1/20 0.43
TP53 P04637 2/20 0.43
POLB P06746 2/20 0.43
HPGD P15428 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
SCHEMBL4554906 0.92 MAOB (0.46) ALDH1A1SMN1; SMN2TTKMAPK8CYP1A2
SCHEMBL4526657 0.85 KIF11 (0.57) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL13637818 0.85 MAOB (0.45) ALDH1A1SMN1; SMN2NPC1RAB9ACYP1A2
SCHEMBL4554435 0.85 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL4553440 0.84 SMN1; SMN2 (0.48) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL4536368 0.83 MAOB (0.45) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL4527045 0.83 MRGPRX4 (0.55) ALDH1A1SMN1; SMN2NPC1RAB9ACYP1A2
SCHEMBL4523255 0.83 NPC1 (0.51) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL4529910 0.82 RAB9A (0.53) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL4554804 0.81 SMN1; SMN2 (0.53) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2124563-A1 BENZIMIDAZOLE TRPV1 INHIBITORS Janssen Pharmaceutica, N.V. (BE) 2009-12-02 EP claimed
WO-2008076752-A1 BENZIMIDAZOLE TRPV1 INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-06-26 WO claimed
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-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
US-7612211-B2 Benzimidazole TRPV1 inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2009-11-03 US disclosed
WO-2008076752-A1 BENZIMIDAZOLE TRPV1 INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-06-26 WO 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 ALDH1A1 747/4885KDM4E 3858/4885MEN1 4627/4885

“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.