SCHEMBL1794967

SCHEMBL1794967

CS(=O)(=O)Nc1ccc(C2CC2c2nc3cc(-c4ccccc4NS(C)(=O)=O)ccc3[nH]2)cc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 3/20 0.51
▸ BRD4 O60885 5/20 0.43
▸ TRPV1 Q8NER1 8/20 0.43
▸ CDK1 P06493 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ IRAK4 Q9NWZ3 1/20 0.39
▸ ALOX5AP P20292 1/20 0.39
▸ FEN1 P39748 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ MCL1 Q07820 1/20 0.39

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
SCHEMBL2937391 0.94 KDM1A (0.45) KDM1ABRD4TRPV1ALOX5APFEN1
SCHEMBL1799974 0.93 KDM1A (0.46) KDM1ABRD4TRPV1CDK1CDK2
SCHEMBL12350194 0.93 TRPV1 (0.52) KDM1ABRD4TRPV1CDK1CDK2
SCHEMBL1798976 0.92 KDM1A (0.43) KDM1ABRD4TRPV1ALOX5APFEN1
SCHEMBL12364471 0.92 KDM1A (0.43) KDM1ABRD4TRPV1ALOX5APFEN1
SCHEMBL1796485 0.92 TRPV1 (0.52) KDM1ABRD4TRPV1CDK1CDK2
SCHEMBL1798578 0.92 KDM1A (0.50) KDM1ABRD4TRPV1CDK1CDK2
SCHEMBL1800456 0.89 TRPV1 (0.54) KDM1ABRD4TRPV1ALOX5APFEN1
SCHEMBL1799834 0.88 BRD4 (0.42) KDM1ABRD4TRPV1CYP3A4
SCHEMBL12350195 0.88 KDM1A (0.46) KDM1ABRD4TRPV1CDK1CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7951829-B2 Benzimidazole modulators of VR1 JANSSEN PHARMACEUTICA NV (BE) 2011-05-31 — — 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-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-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-20110190364-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
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 KDM1A 1102/4885BRD4 405/4885TRPV1 29/4885
US-20070259936-A1 Benzimidazole Modulators of VR1 VRK1, VRK2, VIL1 KDM1A 1102/4885BRD4 405/4885TRPV1 29/4885
US-20110190344-A1 BENZIMIDAZOLE MODULATORS OF VR1 VRK1, VRK2, VIL1 KDM1A 1102/4885BRD4 405/4885TRPV1 29/4885

“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.

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