SCHEMBL14587795

SCHEMBL14587795

CN(C)C(=O)c1ccc(N(C)C(=O)c2cc(NC(=O)c3cc(F)c(Cl)cc3Cl)[nH]n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
ALPL P05186 1/20 0.40
HSP90AA1 P07900 1/20 0.38
PDK2 Q15119 1/20 0.38
PDK1 Q15118 6/20 0.37
CYP2C19 P33261 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
GPR27 Q9NS67 1/20 0.35
FLT3 P36888 1/20 0.34
MAPT P10636 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL14587791 0.91 RORC (0.40) ALPLCYP2C19NPC1RAB9AGPR27
SCHEMBL5010652 0.91 PIK3CD (0.39) ALPLHSP90AA1CYP2C19NPC1RAB9A
SCHEMBL14297710 0.87 CYP2C19 (0.41) CYP2C19NPC1RAB9AMAPT
SCHEMBL5010646 0.86 CYP2C19 (0.41) CYP2C19NPC1RAB9AMAPT
SCHEMBL14301501 0.85 NPC1 (0.41) CYP2C19NPC1RAB9AMAPT
SCHEMBL5010648 0.85 CYP2C19 (0.42) CYP2C19NPC1RAB9AMAPT
SCHEMBL14587804 0.85 CYP2C19 (0.39) CYP2C19NPC1RAB9AMAPT
SCHEMBL14587797 0.84 CYP2C19 (0.43) CYP2C19NPC1RAB9AMAPT
SCHEMBL5009797 0.84 NPC1 (0.44) CYP2C19NPC1RAB9AMAPT
SCHEMBL14587798 0.82 CYP2C19 (0.40) CYP2C19NPC1RAB9AMAPT

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 KDM4E 3446/4885HPGD 3765/4885ALPL 101/4885

“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.