SCHEMBL4526432

SCHEMBL4526432

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.49
CA12 O43570 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
MAOB P27338 1/20 0.46
TRPV1 Q8NER1 1/20 0.43
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
PDPK1 O15530 1/20 0.41
PTGS2 P35354 4/20 0.41
PTGS1 P23219 3/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
LMNA P02545 2/20 0.40
MAPK1 P28482 2/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL4531994 0.91 TTK (0.43) KIF11CA12CA2CA9MAOB
SCHEMBL4519352 0.90 PTGS2 (0.46) MAOBALDH1A1PTGS2PTGS1SMN1; SMN2
SCHEMBL4526082 0.87 ADAMTS4 (0.44) KIF11MAOBALDH1A1CYP1A2CYP3A4
SCHEMBL4524138 0.87 MAOB (0.41) MAOBALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL4531813 0.86 MAOB (0.50) KIF11MAOBALDH1A1CYP1A2CYP3A4
SCHEMBL4532787 0.85 TRPV1 (0.61) MAOBTRPV1ALDH1A1CYP1A2CYP3A4
SCHEMBL4525639 0.85 TRPV1 (0.52) CA12CA2CA9MAOBTRPV1
SCHEMBL4533189 0.85 TRPV1 (0.52) KIF11CA12CA2CA9MAOB
SCHEMBL4526333 0.85 MAOB (0.47) KIF11MAOBALDH1A1CYP1A2CYP3A4
SCHEMBL4529910 0.85 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 11 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 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
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
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 KIF11 3403/4885CA12 3979/4885CA2 355/4885

“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.