SCHEMBL12359117

SCHEMBL12359117

NSc1ccccc1-c1ccc2[nH]c(-c3cccc(Cl)c3)nc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 1/20 0.46
▸ SCD O00767 1/20 0.44
▸ KDM4E B2RXH2 5/20 0.44
▸ ALDH1A1 P00352 5/20 0.44
▸ HPGD P15428 4/20 0.44
▸ MAPT P10636 3/20 0.44
▸ TP53 P04637 2/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ FTO Q9C0B1 1/20 0.44
▸ NPBWR1 P48145 1/20 0.44
▸ GAA P10253 2/20 0.43
▸ MGAM O43451 1/20 0.43
▸ SI P14410 1/20 0.43
▸ MGAM2 Q2M2H8 1/20 0.43
▸ GUSB P08236 1/20 0.43
▸ NPC1 O15118 4/20 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
SCHEMBL12364806 0.80 IDO1 (0.50) IDO1SCDKDM4EALDH1A1HPGD
SCHEMBL12359122 0.78 PARP1 (0.46) IDO1SCDKDM4EALDH1A1HPGD
SCHEMBL3336441 0.78 KDM4E (0.59) IDO1SCDKDM4EALDH1A1HPGD
SCHEMBL12358851 0.77 PARP1 (0.51) IDO1SCDKDM4EALDH1A1HPGD
SCHEMBL12364313 0.77 TRPV1 (0.50) IDO1SCDKDM4EALDH1A1HPGD
SCHEMBL12358856 0.77 IDO1 (0.47) IDO1SCDKDM4EALDH1A1HPGD
SCHEMBL12359118 0.77 TRPV1 (0.52) IDO1SCDNPBWR1GAAMGAM
SCHEMBL30014991 0.76 MEN1 (0.61) KDM4EALDH1A1HPGDMAPTTP53
SCHEMBL2243332 0.75 ALDH1A1 (0.67) KDM4EALDH1A1HPGDMAPTTP53
SCHEMBL12653103 0.74 MEN1 (0.57) KDM4EALDH1A1HPGDMAPTTP53

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 1 patent. 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20110190344-A1 BENZIMIDAZOLE MODULATORS OF VR1 VRK1, VRK2, VIL1 IDO1 913/4885SCD 4754/4885KDM4E 2796/4885

“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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