SCHEMBL12359122

SCHEMBL12359122

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.46
▸ KDM4E B2RXH2 3/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ HPGD P15428 3/20 0.46
▸ TP53 P04637 2/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ FTO Q9C0B1 1/20 0.46
▸ IDO1 P14902 1/20 0.46
▸ GUSB P08236 1/20 0.45
▸ SCD O00767 1/20 0.43
▸ NPBWR1 P48145 1/20 0.43
▸ GAA P10253 2/20 0.43
▸ MGAM O43451 1/20 0.43
▸ SI P14410 1/20 0.43
▸ MGAM2 Q2M2H8 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
SCHEMBL12358814 0.90 KDM4E (0.49) PARP1KDM4EALDH1A1HPGDTP53
SCHEMBL12358708 0.89 RAB9A (0.50) KDM4EALDH1A1HPGDTP53HSD17B10
SCHEMBL12358851 0.85 PARP1 (0.51) PARP1KDM4EALDH1A1HPGDTP53
SCHEMBL12358700 0.84 DGAT1 (0.50) PARP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL12359244 0.80 BRS3 (0.48) ALDH1A1MEN1MAPTMAPK1KMT2A
SCHEMBL12653162 0.80 TRPV1 (0.45) KDM4EALDH1A1HPGDMEN1MAPT
SCHEMBL12358860 0.80 DGAT1 (0.53) PARP1SCDNPBWR1MAPK13RAF1
SCHEMBL12364313 0.79 TRPV1 (0.50) PARP1KDM4EALDH1A1HPGDTP53
SCHEMBL12358856 0.79 IDO1 (0.47) PARP1KDM4EALDH1A1HPGDTP53
SCHEMBL12358842 0.79 SCD (0.56) MEN1KMT2ASCDNPBWR1NPC1

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 PARP1 2675/4885KDM4E 2796/4885ALDH1A1 528/4885
US-20110190344-A1 BENZIMIDAZOLE MODULATORS OF VR1 VRK1, VRK2, VIL1 PARP1 2675/4885KDM4E 2796/4885ALDH1A1 528/4885

“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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