SCHEMBL5013589

SCHEMBL5013589

O=C(NCc1cccc(F)c1F)c1cc(NC(=O)c2cc(F)c(F)cc2Cl)[nH]n1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAOB P27338 1/20 0.41
NTRK1 P04629 5/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 1/20 0.39
PTGES O14684 1/20 0.39
CHRM4 P08173 1/20 0.38
PYGL P06737 1/20 0.38
MET P08581 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
SCHEMBL5008267 0.92 PPARG (0.45) PPARGMEN1KMT2ANTRK1NPC1
SCHEMBL5010568 0.90 NPC1 (0.46) PPARGMEN1KMT2ANPC1RAB9A
SCHEMBL5010360 0.89 PPARG (0.43) PPARGMEN1KMT2ANTRK1NPC1
SCHEMBL5009713 0.88 NTRK1 (0.44) PPARGMEN1KMT2ANTRK1NPC1
SCHEMBL5013482 0.87 PPARG (0.44) PPARGMEN1KMT2ANPC1RAB9A
SCHEMBL5010356 0.87 PPARG (0.50) PPARGNTRK1NPC1RAB9AHPGD
SCHEMBL5012109 0.87 P2RX7 (0.47) PPARGMEN1KMT2ANPC1RAB9A
SCHEMBL14587703 0.86 MEN1 (0.47) PPARGMEN1KMT2ANTRK1ALDH1A1
SCHEMBL5010628 0.86 PTGES (0.47) PPARGPTGES
SCHEMBL14587705 0.86 MEN1 (0.47) PPARGMEN1KMT2ANTRK1ALDH1A1

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 706/4885MEN1 4075/4885KMT2A 4487/4885

“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.