SCHEMBL12358853

SCHEMBL12358853

CC(=O)c1ccccc1-c1ccc2[nH]c(-c3cccc(C(F)(F)F)c3)nc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 2/20 0.53
▸ TRPV1 Q8NER1 2/20 0.52
▸ PIN1 Q13526 1/20 0.48
▸ PDPK1 O15530 1/20 0.48
▸ RORC P51449 1/20 0.47
▸ RORB Q92753 1/20 0.47
▸ DGAT1 O75907 1/20 0.46
▸ KCNH2 Q12809 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ NPBWR1 P48145 2/20 0.46
▸ TP53 P04637 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ KDM4E B2RXH2 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43

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
SCHEMBL12358700 0.86 DGAT1 (0.50) PARP1PIN1PDPK1RORCRORB
SCHEMBL12358851 0.84 PARP1 (0.51) PARP1TRPV1PIN1CYP3A4NPBWR1
SCHEMBL12363938 0.82 TRPV1 (0.57) PARP1TRPV1PIN1PDPK1DGAT1
SCHEMBL2242206 0.81 TRPV1 (0.49) TRPV1RORCRORBMAPTSMN1; SMN2
SCHEMBL1799329 0.81 TRPV1 (0.70) TRPV1MEN1KMT2A
SCHEMBL1799331 0.81 TRPV1 (0.70) TRPV1MEN1KMT2A
SCHEMBL1799452 0.81 TRPV1 (0.49) PARP1TRPV1RORCRORBTP53
SCHEMBL12358857 0.81 TRPV1 (0.52) PARP1TRPV1PIN1PDPK1DGAT1
SCHEMBL12359203 0.81 TRPV1 (0.46) TRPV1CHEK2
SCHEMBL12359111 0.80 KDM4E (0.47) PARP1TRPV1CYP3A4TP53MAPT

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 4 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 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-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 PARP1 2675/4885TRPV1 29/4885PIN1 2777/4885
US-20070259936-A1 Benzimidazole Modulators of VR1 VRK1, VRK2, VIL1 PARP1 2675/4885TRPV1 29/4885PIN1 2777/4885
US-20110190344-A1 BENZIMIDAZOLE MODULATORS OF VR1 VRK1, VRK2, VIL1 PARP1 2675/4885TRPV1 29/4885PIN1 2777/4885

“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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