SCHEMBL5010409

SCHEMBL5010409

O=C(NCc1ccc(F)cc1F)c1cc(NC(=O)c2cc(F)c(F)cc2Cl)[nH]n1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.46
HSD17B13 Q7Z5P4 1/20 0.43
P2RX7 Q99572 3/20 0.43
ALOX15 P16050 3/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PTGES O14684 1/20 0.41
MAOB P27338 1/20 0.40
PPARG P37231 3/20 0.40
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
PYGL P06737 1/20 0.39
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL5012270 0.92 ALOX15 (0.43) P2RX7ALOX15PTGESPPARGNPC1
SCHEMBL5008267 0.88 PPARG (0.45) HSD17B13MEN1KMT2APPARGNPC1
SCHEMBL5013662 0.87 PPARG (0.48) ALOX15KMT2APPARGSMN1; SMN2ALDH1A1
SCHEMBL5010568 0.86 NPC1 (0.46) MEN1KMT2APPARGNPC1RAB9A
SCHEMBL5013482 0.86 PPARG (0.44) P2RX7MEN1KMT2APPARGNPC1
SCHEMBL5013675 0.84 PPARG (0.48) HSD17B13MEN1KMT2APPARGALDH1A1
SCHEMBL5009713 0.84 NTRK1 (0.44) MEN1KMT2APPARGNPC1RAB9A
SCHEMBL5013589 0.84 PPARG (0.41) MEN1KMT2APTGESMAOBPPARG
SCHEMBL14587833 0.84 PTGES (0.40) MEN1KMT2APTGESPPARGNPC1
SCHEMBL14587634 0.84 NTRK1 (0.43) MEN1KMT2APTGESPPARGNPC1

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 GSK3B 75/4885HSD17B13 243/4885P2RX7 1772/4885

“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.