SCHEMBL14587697

SCHEMBL14587697

O=C(NCc1ccc(F)nc1)c1cc(NC(=O)c2cc(F)c(F)cc2Cl)[nH]n1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 10/20 0.46
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
NTRK1 P04629 6/20 0.42
MAPK1 P28482 2/20 0.40
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL14301499 0.92 PPARG (0.46) PPARGNPC1RAB9ANTRK1MAPK1
SCHEMBL14587731 0.89 ITK (0.44) PPARGNPC1RAB9ANTRK1
SCHEMBL14587660 0.88 PPARG (0.43) PPARGNPC1RAB9ANTRK1
SCHEMBL14587613 0.88 NTRK1 (0.54) PPARGNPC1RAB9ANTRK1MAPK1
SCHEMBL5012182 0.88 PPARG (0.56) PPARGNPC1RAB9AMAPK1HDAC3
SCHEMBL5013662 0.88 PPARG (0.48) PPARGHDAC3HDAC1HDAC2HDAC6
SCHEMBL5008489 0.88 PPARG (0.51) PPARGNPC1RAB9A
SCHEMBL14587711 0.87 NTRK1 (0.46) PPARGNTRK1
SCHEMBL14587620 0.87 NTRK1 (0.46) PPARGNPC1RAB9ANTRK1MAPK1
SCHEMBL14587780 0.86 PPARG (0.42) PPARGNPC1RAB9ANTRK1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 706/4885NPC1 2838/4885RAB9A 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.