SCHEMBL12358700

SCHEMBL12358700

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 3/20 0.50
▸ KCNH2 Q12809 3/20 0.50
▸ PARP1 P09874 1/20 0.49
▸ NPBWR1 P48145 4/20 0.49
▸ PDPK1 O15530 1/20 0.48
▸ CYP1A2 P05177 2/20 0.45
▸ CYP3A4 P08684 2/20 0.45
▸ CYP2C9 P11712 2/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ PIN1 Q13526 1/20 0.44
▸ MAPK13 O15264 1/20 0.43
▸ RAF1 P04049 1/20 0.43
▸ MAPK9 P45984 1/20 0.43
▸ MAPK12 P53778 1/20 0.43
▸ MAPK11 Q15759 1/20 0.43
▸ MAPK14 Q16539 1/20 0.43
▸ RORC P51449 1/20 0.43
▸ RORB Q92753 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.41
▸ NPC1 O15118 2/20 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
SCHEMBL12358860 0.90 DGAT1 (0.53) DGAT1KCNH2PARP1NPBWR1MAPK13
SCHEMBL12358708 0.86 RAB9A (0.50) DGAT1KCNH2CYP3A4KDM4ENPC1
SCHEMBL12358853 0.86 PARP1 (0.53) DGAT1KCNH2PARP1NPBWR1PDPK1
SCHEMBL12359122 0.84 PARP1 (0.46) PARP1NPBWR1CYP3A4PIN1MAPK13
SCHEMBL12358813 0.81 TRPV1 (0.48) NPC1ALDH1A1RAB9ASMN1; SMN2HTT
SCHEMBL12358807 0.81 TRPV1 (0.60) KDM4ENPC1ALDH1A1HPGDRAB9A
SCHEMBL12363938 0.81 TRPV1 (0.57) DGAT1KCNH2PARP1NPBWR1PDPK1
SCHEMBL12359266 0.81 SCD (0.42) DGAT1KCNH2NPBWR1KDM4ENPC1
SCHEMBL12358857 0.80 TRPV1 (0.52) DGAT1KCNH2PARP1NPBWR1PDPK1
SCHEMBL12358814 0.80 KDM4E (0.49) PARP1CYP3A4KDM4ENPC1ALDH1A1

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 3 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-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 (2 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-20070259936-A1 Benzimidazole Modulators of VR1 VRK1, VRK2, VIL1 DGAT1 3581/4885KCNH2 461/4885PARP1 2675/4885
US-20110190344-A1 BENZIMIDAZOLE MODULATORS OF VR1 VRK1, VRK2, VIL1 DGAT1 3581/4885KCNH2 461/4885PARP1 2675/4885

“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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