SCHEMBL1801450

SCHEMBL1801450

CS(=O)(=O)Nc1ccc(CCc2nc3cc(-c4ccccc4NS(C)(=O)=O)ccc3[nH]2)cc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.46
TRPV1 Q8NER1 9/20 0.46
GRIN1 Q05586 1/20 0.46
GRIN2B Q13224 1/20 0.46
NTRK1 P04629 5/20 0.44
CDK1 P06493 1/20 0.44
CDK2 P24941 1/20 0.44
IRAK4 Q9NWZ3 1/20 0.44
NTRK2 Q16620 2/20 0.43
SLC6A3 Q01959 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
SCHEMBL1799948 0.92 TRPV1 (0.47) BRD4TRPV1NTRK1NTRK2
SCHEMBL1798232 0.92 TRPV1 (0.47) BRD4TRPV1GRIN1GRIN2BNTRK1
SCHEMBL2240825 0.91 TRPV1 (0.55) BRD4TRPV1NTRK1CDK1CDK2
SCHEMBL12350508 0.91 NTRK1 (0.48) TRPV1NTRK1CDK1CDK2IRAK4
SCHEMBL1795732 0.91 TRPV1 (0.45) BRD4TRPV1NTRK1CDK1CDK2
SCHEMBL2243168 0.88 TRPV1 (0.60) BRD4TRPV1NTRK1CDK1CDK2
SCHEMBL12350134 0.88 TRPV1 (0.48) TRPV1GRIN1GRIN2BNTRK1CDK1
SCHEMBL2243865 0.87 TRPV1 (0.61) BRD4TRPV1GRIN1GRIN2BNTRK1
SCHEMBL1795056 0.86 TRPV1 (0.61) BRD4TRPV1GRIN1GRIN2BNTRK1
SCHEMBL2240684 0.86 NTRK1 (0.46) BRD4TRPV1GRIN1GRIN2BNTRK1

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 17 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-20110190344-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-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
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
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
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 BRD4 405/4885TRPV1 29/4885GRIN1 211/4885
US-20070259936-A1 Benzimidazole Modulators of VR1 VRK1, VRK2, VIL1 BRD4 405/4885TRPV1 29/4885GRIN1 211/4885
US-20110190344-A1 BENZIMIDAZOLE MODULATORS OF VR1 VRK1, VRK2, VIL1 BRD4 405/4885TRPV1 29/4885GRIN1 211/4885

“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.