SCHEMBL14587724

SCHEMBL14587724

O=C(N[C@@H](CO)c1ccccc1)c1cc(NC(=O)c2cc(F)c(F)cc2Cl)[nH]n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DCAF1 Q9Y4B6 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
PAK4 O96013 3/20 0.41
APLNR P35414 1/20 0.41
MAPK1 P28482 7/20 0.41
TACR3 P29371 1/20 0.40
NTRK1 P04629 5/20 0.40
MAPK3 P27361 1/20 0.39
CTSA P10619 1/20 0.39
PDE2A O00408 1/20 0.39
MAPK13 O15264 1/20 0.39
ROCK2 O75116 1/20 0.39
RPS6KA5 O75582 1/20 0.39
MAP4K4 O95819 1/20 0.39
PRKCG P05129 1/20 0.39
CDK1 P06493 1/20 0.39
PRKACA P17612 1/20 0.39
RPS6KB1 P23443 1/20 0.39
CDK2 P24941 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
SCHEMBL14587725 1.00 DCAF1 (0.43) DCAF1NPC1RAB9APAK4APLNR
SCHEMBL5010845 0.88 ALDH1A1 (0.49) NPC1RAB9A
SCHEMBL14587700 0.86 BDKRB1 (0.48) NPC1RAB9ANTRK1PDE2AROCK2
SCHEMBL14587701 0.86 BDKRB1 (0.48) NPC1RAB9ANTRK1PDE2AROCK2
SCHEMBL14587644 0.83 NPC1 (0.41) DCAF1NPC1RAB9ANTRK1PDE2A
SCHEMBL14587720 0.82 BDKRB1 (0.52) NPC1RAB9ATACR3
SCHEMBL14587719 0.82 BDKRB1 (0.52) NPC1RAB9ATACR3
SCHEMBL5012183 0.82 NPC1 (0.55) NPC1RAB9A
SCHEMBL5010405 0.79 PPARG (0.59) NPC1RAB9ANTRK1
SCHEMBL3822963 0.78 PYGL (0.50) NPC1RAB9A

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 DCAF1 2567/4885NPC1 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.