SCHEMBL14587798

SCHEMBL14587798

CN(C(=O)c1cc(NC(=O)c2cc(F)c(F)cc2Cl)[nH]n1)c1ccc(C#N)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.40
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
GPBAR1 Q8TDU6 1/20 0.38
HTT P42858 1/20 0.37
RECQL P46063 1/20 0.37
MAPT P10636 1/20 0.37
SCN9A Q15858 1/20 0.36
STING1 Q86WV6 1/20 0.36
PPARG P37231 1/20 0.36
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
PYGL P06737 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL14587801 0.88 GPBAR1 (0.33) CYP2C19NPC1RAB9AGPBAR1HTT
SCHEMBL5009797 0.87 NPC1 (0.44) CYP2C19NPC1RAB9AHTTRECQL
SCHEMBL14297710 0.86 CYP2C19 (0.41) CYP2C19NPC1RAB9AHTTRECQL
SCHEMBL5010646 0.85 CYP2C19 (0.41) CYP2C19NPC1RAB9AHTTRECQL
SCHEMBL14301501 0.85 NPC1 (0.41) CYP2C19NPC1RAB9AGPBAR1HTT
SCHEMBL5010648 0.85 CYP2C19 (0.42) CYP2C19NPC1RAB9AHTTRECQL
SCHEMBL14587804 0.84 CYP2C19 (0.39) CYP2C19NPC1RAB9AHTTRECQL
SCHEMBL14587797 0.83 CYP2C19 (0.43) CYP2C19NPC1RAB9AHTTRECQL
SCHEMBL14587795 0.82 KDM4E (0.40) CYP2C19NPC1RAB9AMAPT
SCHEMBL14587800 0.81 CYP2C19 (0.37) CYP2C19NPC1RAB9AHTTRECQL

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 CYP2C19 517/4885NPC1 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.