SCHEMBL4554906

SCHEMBL4554906

CC(=O)Nc1ccc(-c2ccc3[nH]c(COc4ccc(C(F)(F)F)cc4)nc3c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.46
PARP1 P09874 1/20 0.45
DHODH Q02127 1/20 0.45
ALDH1A1 P00352 1/20 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
PPARD Q03181 2/20 0.43
PPARA Q07869 2/20 0.43
PKM P14618 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
P2RY14 Q15391 1/20 0.43
KIF11 P52732 1/20 0.43
PPARG P37231 1/20 0.42
PTGES O14684 1/20 0.42
KDM5A P29375 1/20 0.42
KDM4C Q9H3R0 1/20 0.42
KDM5B Q9UGL1 1/20 0.42
CACNA1G O43497 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
SCHEMBL4554407 0.92 ALDH1A1 (0.45) MAOBDHODHALDH1A1CYP1A2CYP3A4
SCHEMBL4554804 0.85 SMN1; SMN2 (0.53) MAOBALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL4554435 0.85 ALDH1A1 (0.46) MAOBPARP1DHODHALDH1A1CYP1A2
SCHEMBL4526676 0.85 KIF11 (0.52) MAOBALDH1A1PKMSMN1; SMN2KIF11
SCHEMBL4526333 0.85 MAOB (0.47) MAOBALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL4531371 0.84 PPARD (0.52) MAOBALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL4531947 0.84 NPC1 (0.57) MAOBALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL13628971 0.84 SMN1; SMN2 (0.57) MAOBALDH1A1PPARDPKMSMN1; SMN2
SCHEMBL14191870 0.83 MAOB (0.45) MAOBALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL4529910 0.82 RAB9A (0.53) MAOBALDH1A1CYP1A2CYP3A4CYP2D6

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 10 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
US-7612211-B2 Benzimidazole TRPV1 inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2009-11-03 US 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
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 MAOB 1031/4885PARP1 2962/4885DHODH 2103/4885

“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.