SCHEMBL5010756

SCHEMBL5010756

N=C(Nc1cccc(CNC(=O)c2cc(NC(=O)c3cc(F)c(F)cc3Cl)[nH]n2)c1)c1ccccc1F

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.48
ALDH1A1 P00352 1/20 0.47
AURKB Q96GD4 10/20 0.44
AURKA O14965 9/20 0.44
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
RPS6KB1 P23443 2/20 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
SCHEMBL5009735 0.91 PPARG (0.49) PPARGALDH1A1AURKBAURKANPC1
SCHEMBL14587823 0.89 PPARG (0.48) PPARGALDH1A1AURKBAURKANPC1
Hydrochloric Acid SCHEMBL5010431 0.88 PPARG (0.47) PPARGALDH1A1AURKBAURKANPC1
SCHEMBL5010715 0.87 PPARG (0.49) PPARGALDH1A1AURKBAURKANPC1
SCHEMBL5008249 0.84 ALDH1A1 (0.49) PPARGALDH1A1AURKBAURKANPC1
SCHEMBL5010405 0.84 PPARG (0.59) PPARGALDH1A1NPC1RAB9A
SCHEMBL5012134 0.84 PPARG (0.48) PPARGALDH1A1NPC1
SCHEMBL5013675 0.84 PPARG (0.48) PPARGALDH1A1AURKBAURKA
SCHEMBL14587707 0.83 PPARG (0.51) PPARGALDH1A1NPC1RAB9A
SCHEMBL5013521 0.83 PPARG (0.47) PPARGALDH1A1AURKBAURKARPS6KB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1884513-A1 PYRAZOLE COMPOUND AND THERAPEUTIC AGENT FOR DIABETES COMPRISING THE SAME Japan Tobacco, Inc. (JP) 2008-02-06 EP claimed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 US claimed
EP-1884513-A1 PYRAZOLE COMPOUND AND THERAPEUTIC AGENT FOR DIABETES COMPRISING THE SAME Japan Tobacco, Inc. (JP) 2008-02-06 EP disclosed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 US disclosed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 US disclosed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 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 (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-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents PYGL, GYS2, AGL PPARG 706/4885ALDH1A1 1278/4885AURKB 2745/4885

“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.