SCHEMBL14587701

SCHEMBL14587701

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

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 1/20 0.48
ROCK2 O75116 2/20 0.45
ROCK1 Q13464 2/20 0.45
NTRK1 P04629 3/20 0.44
THRB P10828 1/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 3/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
GPR139 Q6DWJ6 1/20 0.42
MAPT P10636 1/20 0.42
PDE2A O00408 1/20 0.41

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
SCHEMBL14587700 1.00 BDKRB1 (0.48) BDKRB1ROCK2ROCK1NTRK1THRB
SCHEMBL5010845 0.89 ALDH1A1 (0.49) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL14587704 0.89 NTRK1 (0.45) BDKRB1ROCK2ROCK1NTRK1NPC1
SCHEMBL14084847 0.87 BDKRB1 (0.62) BDKRB1THRBNPC1RAB9AKMT2A
SCHEMBL14587720 0.86 BDKRB1 (0.52) BDKRB1NPC1RAB9AMEN1KMT2A
SCHEMBL14587719 0.86 BDKRB1 (0.52) BDKRB1NPC1RAB9AMEN1KMT2A
SCHEMBL14587725 0.86 DCAF1 (0.43) ROCK2ROCK1NTRK1NPC1RAB9A
SCHEMBL14587724 0.86 DCAF1 (0.43) ROCK2ROCK1NTRK1NPC1RAB9A
SCHEMBL14587644 0.85 NPC1 (0.41) NTRK1NPC1RAB9AMEN1KMT2A
SCHEMBL5012183 0.83 NPC1 (0.55) BDKRB1NPC1RAB9AMEN1KMT2A

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 BDKRB1 3131/4885ROCK2 3234/4885ROCK1 2728/4885

“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.