SCHEMBL1800337

SCHEMBL1800337

Oc1ccccc1-c1ccc2[nH]c(C3CC3c3ccc(C(F)(F)F)cc3)nc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHUK O15111 1/20 0.40
▸ TXNRD1 Q16881 1/20 0.40
▸ NOX4 Q9NPH5 1/20 0.40
▸ KDM1A O60341 1/20 0.40
▸ ROCK2 O75116 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ TRPV1 Q8NER1 10/20 0.38
▸ LPAR2 Q9HBW0 1/20 0.37
▸ QPCT Q16769 1/20 0.36
▸ QPCTL Q9NXS2 1/20 0.36
▸ NPY5R Q15761 1/20 0.35
▸ HPN P05981 1/20 0.35
▸ PGR P06401 1/20 0.34
▸ AR P10275 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34

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
SCHEMBL1796478 0.87 TRPV1 (0.40) ROCK2TRPV1LPAR2NPY5RKCNH2
SCHEMBL12350593 0.86 KDM1A (0.42) KDM1AROCK2KDM4EALDH1A1POLB
SCHEMBL1796567 0.86 TRPV1 (0.52) ROCK2TRPV1LPAR2
SCHEMBL1800653 0.86 TRPV1 (0.52) ROCK2TRPV1LPAR2
SCHEMBL1802866 0.86 TRPV1 (0.52) ROCK2TRPV1LPAR2
SCHEMBL1798128 0.86 TRPV1 (0.52) ROCK2TRPV1LPAR2
SCHEMBL1796813 0.86 TRPV1 (0.52) ROCK2TRPV1LPAR2
SCHEMBL1799978 0.85 PARP1 (0.43) ROCK2TRPV1LPAR2KCNH2P2RY14
SCHEMBL1797750 0.85 TRPV1 (0.52) ROCK2TRPV1NPY5R
SCHEMBL1800621 0.85 TRPV1 (0.52) ROCK2TRPV1NPY5R

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-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-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
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
EP-2021330-A2 BENZIMIDAZOLE MODULATORS OF VR1 Janssen Pharmaceutica, N.V. (BE) 2009-02-11 — — EP disclosed
WO-2007130780-A2 BENZIMIDAZOLE MODULATORS OF VR1 JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-15 — — WO 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 CHUK 1620/4885TXNRD1 3119/4885NOX4 3777/4885
US-20070259936-A1 Benzimidazole Modulators of VR1 VRK1, VRK2, VIL1 CHUK 1620/4885TXNRD1 3119/4885NOX4 3777/4885
US-20110190344-A1 BENZIMIDAZOLE MODULATORS OF VR1 VRK1, VRK2, VIL1 CHUK 1620/4885TXNRD1 3119/4885NOX4 3777/4885

“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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