SCHEMBL14587780

SCHEMBL14587780

CCN(CC)c1ccc(CNC(=O)c2cc(NC(=O)c3cc(F)c(F)cc3Cl)[nH]n2)cn1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.42
NTRK1 P04629 7/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CACNA1H O95180 1/20 0.39
HTT P42858 1/20 0.39
RECQL P46063 1/20 0.39
MAPK1 P28482 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
SCHEMBL14587660 0.91 PPARG (0.43) PPARGNTRK1NPC1RAB9A
SCHEMBL14301499 0.86 PPARG (0.46) PPARGNTRK1NPC1RAB9AMAPK1
SCHEMBL14587697 0.86 PPARG (0.46) PPARGNTRK1NPC1RAB9AMAPK1
SCHEMBL14587620 0.85 NTRK1 (0.46) PPARGNTRK1NPC1RAB9AHTT
SCHEMBL5010706 0.84 PPARG (0.47) PPARGNPC1RAB9AHTTRECQL
SCHEMBL14587613 0.84 NTRK1 (0.54) PPARGNTRK1NPC1RAB9AMAPK1
SCHEMBL14587731 0.83 ITK (0.44) PPARGNTRK1NPC1RAB9A
SCHEMBL5013431 0.82 NPC1 (0.49) PPARGNPC1RAB9AMAPK1
SCHEMBL5009738 0.82 ALDH1A1 (0.42) PPARGRAB9AHTTRECQL
SCHEMBL5008489 0.82 PPARG (0.51) PPARGNPC1RAB9A

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 706/4885NTRK1 4549/4885NPC1 2838/4885

“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.