SCHEMBL333909

SCHEMBL333909

Cn1nccc1Oc1ccc(Sc2cccc(C3(C(N)=O)CCOCC3)c2)cc1C#N

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 7/20 0.53
PIK3CD O00329 1/20 0.34
LMNA P02545 1/20 0.33
SCN9A Q15858 3/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
CTSD P07339 1/20 0.32
BACE1 P56817 1/20 0.32
BACE2 Q9Y5Z0 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
RET P07949 1/20 0.31
IKBKE Q14164 1/20 0.31
TBK1 Q9UHD2 1/20 0.31

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
SCHEMBL332218 0.85 ALOX5 (0.59) ALOX5PIK3CDSCN9AHRH3RET
SCHEMBL331647 0.83 ALOX5 (0.53) ALOX5PIK3CDSMN1; SMN2HSD17B10RET
SCHEMBL332784 0.79 ALOX5 (0.53) ALOX5PIK3CDHRH3
Pf-4191834 SCHEMBL29369341 0.79 ALOX5 (0.81) ALOX5PIK3CDHRH3
Pf-4191834 SCHEMBL332973 0.79 ALOX5 (0.81) ALOX5PIK3CDHRH3
SCHEMBL333086 0.76 ALOX5 (0.61) ALOX5PIK3CDLMNAHSD17B10HRH3
SCHEMBL332437 0.76 ALOX5 (0.63) ALOX5PIK3CDHSD17B10HRH3
SCHEMBL332479 0.76 ALOX5 (0.65) ALOX5PIK3CDLMNAHSD17B10HRH3
SCHEMBL332613 0.75 ALOX5 (0.62) ALOX5PIK3CDHRH3
SCHEMBL332424 0.75 ALOX5 (0.62) ALOX5PIK3CDSCN9AHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2225229-A1 PYRAZOLE DERIVATIVES AS 5-LO INHIBITORS Pfizer Inc. (US) 2010-09-08 EP claimed
US-20090227634-A1 Pyrazole Derivatives as 5-LO-Inhibitors PFIZER INC. 2009-09-10 US claimed
WO-2009069044-A1 PYRAZOLE DERIVATIVES AS 5-LO INHIBITORS PFIZER INC. (US) 2009-06-04 WO claimed
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 1305/4885LMNA 914/4885

“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.