SCHEMBL2240684

SCHEMBL2240684

CC(=O)c1ccccc1-c1ccc2[nH]c(CCc3ccc(NS(C)(=O)=O)cc3)nc2c1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 13/20 0.46
NTRK2 Q16620 9/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
BRD4 O60885 2/20 0.43
TRPV1 Q8NER1 2/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2B Q13224 1/20 0.43
BRS3 P32247 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
SCHEMBL12359245 0.90 GRIN1 (0.44) NTRK1NTRK2BRD4TRPV1GRIN1
SCHEMBL2245713 0.89 TRPV1 (0.47) NTRK1NTRK2NPC1RAB9ATRPV1
SCHEMBL1799479 0.89 TRPV1 (0.44) NTRK1NTRK2NPC1RAB9ATRPV1
SCHEMBL1801450 0.86 BRD4 (0.46) NTRK1NTRK2BRD4TRPV1GRIN1
SCHEMBL12359119 0.85 KMT2A (0.53) NPC1RAB9ABRD4
SCHEMBL2239031 0.85 BRS3 (0.49) NTRK1NTRK2NPC1RAB9ATRPV1
SCHEMBL1795056 0.85 TRPV1 (0.61) NTRK1NTRK2BRD4TRPV1GRIN1
SCHEMBL1797468 0.84 NTRK1 (0.43) NTRK1NTRK2NPC1RAB9ABRD4
SCHEMBL2243865 0.84 TRPV1 (0.61) NTRK1NTRK2BRD4TRPV1GRIN1
SCHEMBL12350140 0.82 ALDH1A1 (0.47) NTRK1NTRK2NPC1RAB9ATRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110190344-A1 BENZIMIDAZOLE MODULATORS OF VR1 JANSSEN PHARMACEUTICA N.V. (BE) 2011-08-04 US claimed
EP-2021330-B1 BENZIMIDAZOLE MODULATORS OF VR1 JANSSEN PHARMACEUTICA NV (BE) 2010-09-22 EP claimed
US-20070259936-A1 Benzimidazole Modulators of VR1 JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-08 US claimed
US-20110190364-A1 BENZIMIDAZOLE MODULATORS OF VR1 JANSSEN PHARMACEUTICA N.V. (BE) 2011-08-04 US disclosed
US-20110190364-A1 BENZIMIDAZOLE MODULATORS OF VR1 JANSSEN PHARMACEUTICA N.V. (BE) 2011-08-04 US disclosed
US-20110190344-A1 BENZIMIDAZOLE MODULATORS OF VR1 JANSSEN PHARMACEUTICA N.V. (BE) 2011-08-04 US disclosed
US-20110190344-A1 BENZIMIDAZOLE MODULATORS OF VR1 JANSSEN PHARMACEUTICA N.V. (BE) 2011-08-04 US disclosed
US-7951829-B2 Benzimidazole modulators of VR1 JANSSEN PHARMACEUTICA NV (BE) 2011-05-31 US disclosed
US-7951829-B2 Benzimidazole modulators of VR1 JANSSEN PHARMACEUTICA NV (BE) 2011-05-31 US disclosed
EP-2021330-B1 BENZIMIDAZOLE MODULATORS OF VR1 JANSSEN PHARMACEUTICA NV (BE) 2010-09-22 EP disclosed
EP-2021330-B1 BENZIMIDAZOLE MODULATORS OF VR1 JANSSEN PHARMACEUTICA NV (BE) 2010-09-22 EP disclosed
WO-2007130780-A2 BENZIMIDAZOLE MODULATORS OF VR1 JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-15 WO disclosed
US-20070259936-A1 Benzimidazole Modulators of VR1 JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-08 US disclosed
US-20070259936-A1 Benzimidazole Modulators of VR1 JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-08 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 (3 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-20110190364-A1 BENZIMIDAZOLE MODULATORS OF VR1 VRK1, VRK2, VIL1 NTRK1 2537/4885NTRK2 2593/4885NPC1 750/4885
US-20070259936-A1 Benzimidazole Modulators of VR1 VRK1, VRK2, VIL1 NTRK1 2537/4885NTRK2 2593/4885NPC1 750/4885
US-20110190344-A1 BENZIMIDAZOLE MODULATORS OF VR1 VRK1, VRK2, VIL1 NTRK1 2537/4885NTRK2 2593/4885NPC1 750/4885

“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.