SCHEMBL14587741

SCHEMBL14587741

COc1cncc(OC)c1CNC(=O)c1cc(NC(=O)c2cc(F)c(F)cc2Cl)[nH]n1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
MAPT P10636 1/20 0.46
PYGL P06737 4/20 0.43
ROCK2 O75116 7/20 0.41
ROCK1 Q13464 7/20 0.41
NTRK1 P04629 1/20 0.38
HTT P42858 1/20 0.37
RECQL P46063 1/20 0.37
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL5010609 0.90 NPC1 (0.48) NPC1RAB9AMAPTPYGLROCK2
SCHEMBL14587663 0.89 NPC1 (0.41) NPC1RAB9AMAPTPYGLNTRK1
SCHEMBL5010595 0.84 LMNA (0.50) NPC1RAB9AMAPTPYGLHTT
SCHEMBL5012144 0.84 PPARG (0.52) NPC1RAB9AMAPTNTRK1HTT
SCHEMBL14299384 0.83 ALDH1A1 (0.44) NPC1RAB9AMAPTPYGLROCK2
SCHEMBL14587684 0.83 NPC1 (0.44) NPC1RAB9AMAPTPYGLROCK2
SCHEMBL5013482 0.83 PPARG (0.44) NPC1RAB9APYGLROCK2ROCK1
SCHEMBL5012069 0.82 WDR5 (0.44) NPC1RAB9AMAPTHTTRECQL
SCHEMBL14587689 0.82 NPC1 (0.46) NPC1RAB9AMAPTPYGLROCK2
SCHEMBL5008451 0.82 ALDH1A1 (0.49) NPC1RAB9AMAPTPYGLROCK2

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 2748/4885MAPT 4621/4885

“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.