SCHEMBL332440

SCHEMBL332440

Cn1nccc1-c1ccc(S)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP19A1 P11511 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
COMT P21964 1/20 0.46
KCNH2 Q12809 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
PIK3CD O00329 1/20 0.44
PIK3CA P42336 1/20 0.44
PIK3CB P42338 1/20 0.44
PI4KA P42356 1/20 0.44
PIK3CG P48736 1/20 0.44
PI4KB Q9UBF8 1/20 0.44
DRD1 P21728 1/20 0.43
ALOX5 P09917 1/20 0.42
SLC13A5 Q86YT5 1/20 0.41
CD274 Q9NZQ7 1/20 0.40
PORCN Q9H237 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
SCHEMBL3447723 0.81 CYP1A2 (0.54) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL17369090 0.79 CYP1A2 (0.53) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL21258381 0.79 CYP1A2 (0.53) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL16826278 0.79 CYP3A4 (0.53) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL14938176 0.79 CYP1A2 (0.53) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL3489735 0.79 CYP1A2 (0.53) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL14938282 0.79 PORCN (0.55) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL3926262 0.78 NPC1 (0.56) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL4133270 0.78 CYP1A2 (0.51) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL15950989 0.77 COMT (0.60) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8097733-B2 Pyrazole derivatives as 5-LO-inhibitors PFIZER INC. (US) 2012-01-17 US disclosed
EP-2225229-A1 PYRAZOLE DERIVATIVES AS 5-LO INHIBITORS Pfizer Inc. (US) 2010-09-08 EP disclosed
US-20090227634-A1 Pyrazole Derivatives as 5-LO-Inhibitors PFIZER INC. 2009-09-10 US disclosed
WO-2009069044-A1 PYRAZOLE DERIVATIVES AS 5-LO INHIBITORS PFIZER INC. (US) 2009-06-04 WO 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-20090227634-A1 Pyrazole Derivatives as 5-LO-Inhibitors ALOX5, ALOX15, CYP3A5 CYP1A2 24/4885CYP3A4 25/4885CYP2D6 42/4885

“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.