SCHEMBL14587785

SCHEMBL14587785

Cc1nc(C)c(CNC(=O)c2cc(NC(=O)c3cc(F)c(F)cc3Cl)[nH]n2)s1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
NTRK1 P04629 4/20 0.37
PPARG P37231 3/20 0.37
PYGL P06737 2/20 0.37
CYP2C19 P33261 1/20 0.36
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
HTT P42858 1/20 0.35
RECQL P46063 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PTGES O14684 1/20 0.35
PDE10A Q9Y233 1/20 0.35

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
SCHEMBL3828418 0.90 NTRK1 (0.37) NPC1RAB9ANTRK1PPARGPYGL
SCHEMBL13933546 0.90 NTRK1 (0.37) NPC1RAB9ANTRK1PPARGPYGL
SCHEMBL13933427 0.87 HPGD (0.36) NPC1RAB9ANTRK1PPARGPYGL
SCHEMBL13933411 0.87 NPC1 (0.37) NPC1RAB9ANTRK1PPARGPYGL
SCHEMBL14587632 0.86 NPC1 (0.39) NPC1RAB9ANTRK1PPARGPYGL
SCHEMBL13933412 0.86 NPSR1 (0.38) NPC1RAB9ANTRK1PPARGPYGL
SCHEMBL14587784 0.85 NPC1 (0.41) NPC1RAB9ANTRK1PPARGPYGL
SCHEMBL14587642 0.84 PPARG (0.44) PPARGHTTKMT2A
SCHEMBL13933416 0.84 ALDH1A1 (0.41) NPC1RAB9ANTRK1PPARGPYGL
SCHEMBL13933410 0.84 PPARA (0.49) NPC1PPARG

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 NPC1 2838/4885RAB9A 2748/4885NTRK1 4549/4885

“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.