SCHEMBL331647

SCHEMBL331647

Cn1nccc1C(=O)c1ccc(Sc2cccc(C3(C(N)=O)CCOCC3)c2)cc1C#N

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 6/20 0.53
PIK3CD O00329 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
RET P07949 1/20 0.32
CNR1 P21554 1/20 0.32

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
SCHEMBL332599 0.87 ALOX5 (0.55) ALOX5PIK3CDSMN1; SMN2HSD17B10
SCHEMBL333086 0.85 ALOX5 (0.61) ALOX5PIK3CDHSD17B10
SCHEMBL332481 0.85 ALOX5 (0.53) ALOX5PIK3CD
SCHEMBL332218 0.85 ALOX5 (0.59) ALOX5PIK3CDRET
SCHEMBL333909 0.83 ALOX5 (0.53) ALOX5PIK3CDSMN1; SMN2HSD17B10RET
Pf-4191834 SCHEMBL332973 0.79 ALOX5 (0.81) ALOX5PIK3CD
Pf-4191834 SCHEMBL29369341 0.79 ALOX5 (0.81) ALOX5PIK3CD
SCHEMBL332895 0.78 ALOX5 (0.53) ALOX5PIK3CD
SCHEMBL332479 0.76 ALOX5 (0.65) ALOX5PIK3CDHSD17B10
SCHEMBL332437 0.76 ALOX5 (0.63) ALOX5PIK3CDHSD17B10

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 9 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
US-8097733-B2 Pyrazole derivatives as 5-LO-inhibitors PFIZER INC. (US) 2012-01-17 US disclosed
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
US-20090227634-A1 Pyrazole Derivatives as 5-LO-Inhibitors PFIZER INC. 2009-09-10 US 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
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 ALOX5 1/4885PIK3CD 1305/4885SMN1; SMN2 4794/4885

“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.