SCHEMBL4554804

SCHEMBL4554804

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.53
MAPT P10636 1/20 0.53
MAPK1 P28482 1/20 0.53
ALDH1A1 P00352 3/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
MAOB P27338 2/20 0.46
LMNA P02545 6/20 0.44
HTT P42858 2/20 0.43
PPARD Q03181 2/20 0.43
KDM4E B2RXH2 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
SMPD1 P17405 1/20 0.42
PKM P14618 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL4553440 0.92 SMN1; SMN2 (0.48) SMN1; SMN2MAPTMAPK1ALDH1A1CYP1A2
SCHEMBL4531371 0.89 PPARD (0.52) SMN1; SMN2MAPK1ALDH1A1CYP1A2CYP3A4
SCHEMBL13628971 0.87 SMN1; SMN2 (0.57) SMN1; SMN2MAPTMAPK1ALDH1A1MAOB
SCHEMBL4554906 0.85 MAOB (0.46) SMN1; SMN2ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL4526333 0.85 MAOB (0.47) SMN1; SMN2MAPK1ALDH1A1CYP1A2CYP3A4
SCHEMBL4528019 0.85 ALDH1A1 (0.46) SMN1; SMN2MAPTMAPK1ALDH1A1CYP1A2
SCHEMBL4531947 0.84 NPC1 (0.57) SMN1; SMN2MAPK1ALDH1A1CYP1A2CYP3A4
SCHEMBL4529910 0.83 RAB9A (0.53) SMN1; SMN2MAPK1ALDH1A1CYP1A2CYP3A4
SCHEMBL4554556 0.83 MAOB (0.50) SMN1; SMN2MAPK1ALDH1A1CYP1A2CYP3A4
SCHEMBL3149612 0.83 ALDH1A1 (0.54) SMN1; SMN2MAPTMAPK1ALDH1A1CYP1A2

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 6 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-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.