SCHEMBL7970116

SCHEMBL7970116

CNC(=O)c1ccc(F)c2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.61
PLK1 P53350 3/20 0.60
CXCR5 P32302 1/20 0.54
BRD4 O60885 1/20 0.50
SCN9A Q15858 1/20 0.45
NUDT1 P36639 1/20 0.44
CNR1 P21554 5/20 0.43
CNR2 P34972 4/20 0.43
ALDH1A1 P00352 1/20 0.42
MAPK10 P53779 1/20 0.42
YTHDC1 Q96MU7 1/20 0.40
PDK2 Q15119 1/20 0.40
HTT P42858 1/20 0.40
MTNR1A P48039 1/20 0.40

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
SCHEMBL13520263 0.88 PLK1 (0.72) GAAPLK1BRD4CNR1ALDH1A1
SCHEMBL13485805 0.83 HDAC8 (0.56) GAAPLK1CXCR5SCN9ACNR1
SCHEMBL8330859 0.81 BRD4 (0.54) PLK1CXCR5BRD4SCN9ACNR1
SCHEMBL24080315 0.79 PLK1 (0.62) GAAPLK1BRD4CNR1YTHDC1
SCHEMBL10942371 0.79 PLK1 (0.62) GAAPLK1BRD4CNR1YTHDC1
SCHEMBL15587625 0.79 PLK1 (0.62) GAAPLK1BRD4CNR1CNR2
SCHEMBL29392762 0.79 CNR1 (0.47) GAACXCR5BRD4CNR1CNR2
SCHEMBL401068 0.79 CNR1 (0.47) GAACXCR5BRD4CNR1CNR2
SCHEMBL11553077 0.78 PLK1 (0.60) GAAPLK1BRD4CNR1ALDH1A1
SCHEMBL1096857 0.78 BRD4 (0.50) GAACXCR5BRD4ALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8377923-B2 Triazole derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2013-02-19 US disclosed
US-8377923-B2 Triazole derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2013-02-19 US disclosed
US-20110105460-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2011-05-05 US disclosed
US-20110105460-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2011-05-05 US disclosed
WO-2010001946-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF アステラス製薬株式会社 (JP) 2010-01-07 WO 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-20110105460-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF HSD11B1, HSD11B2, HSD3B1 GAA 1904/4885PLK1 4475/4885CXCR5 1902/4885

“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.