SCHEMBL5013487

SCHEMBL5013487

O=C(Nc1cc(C(=O)N(Cc2ccccc2)c2ccccc2)n[nH]1)c1cc(F)c(F)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.43
ALDH1A1 P00352 3/20 0.43
RAB9A P51151 4/20 0.42
NPC1 O15118 3/20 0.42
S1PR1 P21453 1/20 0.41
S1PR3 Q99500 1/20 0.41
PDK1 Q15118 5/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.38
GLA P06280 1/20 0.38
HTT P42858 1/20 0.38
PAX8 Q06710 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL14587645 0.90 NPC1 (0.42) PPARGALDH1A1RAB9ANPC1KMT2A
SCHEMBL14587748 0.90 NPC1 (0.42) PPARGALDH1A1RAB9ANPC1KMT2A
SCHEMBL5008310 0.90 TP53 (0.46) PPARGALDH1A1RAB9ANPC1KMT2A
SCHEMBL14587756 0.89 ALDH1A1 (0.44) PPARGALDH1A1RAB9ANPC1KMT2A
SCHEMBL5008526 0.89 PPARG (0.45) PPARGALDH1A1RAB9ANPC1KMT2A
SCHEMBL5010563 0.88 HTT (0.41) PPARGALDH1A1RAB9ANPC1KMT2A
SCHEMBL5008259 0.87 NR1H4 (0.41) PPARGALDH1A1RAB9ANPC1KMT2A
SCHEMBL14587757 0.87 ALDH1A1 (0.47) PPARGALDH1A1RAB9ANPC1KMT2A
SCHEMBL5009724 0.87 HSP90AA1 (0.45) PPARGALDH1A1RAB9ANPC1KMT2A
SCHEMBL14587759 0.87 HTT (0.40) PPARGALDH1A1RAB9ANPC1KMT2A

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 1278/4885RAB9A 2748/4885

“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.