SCHEMBL333086

SCHEMBL333086

Cn1nccc1C(=O)c1ccc(Sc2cccc(C3(C(N)=O)CCOCC3)c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 8/20 0.61
HTT P42858 1/20 0.41
PIK3CD O00329 1/20 0.36
HRH3 Q9Y5N1 1/20 0.32
ALDH1A1 P00352 3/20 0.32
TSHR P16473 3/20 0.32
LMNA P02545 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
RAB9A P51151 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
USP2 O75604 1/20 0.31
HSD17B10 Q99714 1/20 0.31
RARB P10826 1/20 0.30
RARG P13631 1/20 0.30
RXRA P19793 1/20 0.30
RXRB P28702 1/20 0.30

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
SCHEMBL332790 0.88 ALOX5 (0.47) ALOX5HTT
SCHEMBL332599 0.87 ALOX5 (0.55) ALOX5HTTPIK3CDHRH3ALDH1A1
Pf-4191834 SCHEMBL332973 0.85 ALOX5 (0.81) ALOX5PIK3CDHRH3
Pf-4191834 SCHEMBL29369341 0.85 ALOX5 (0.81) ALOX5PIK3CDHRH3
SCHEMBL332481 0.85 ALOX5 (0.53) ALOX5PIK3CD
SCHEMBL331647 0.85 ALOX5 (0.53) ALOX5PIK3CDHSD17B10
SCHEMBL332895 0.83 ALOX5 (0.53) ALOX5HTTPIK3CDHRH3
SCHEMBL332479 0.82 ALOX5 (0.65) ALOX5PIK3CDHRH3ALDH1A1TSHR
SCHEMBL332226 0.82 ALOX5 (0.66) ALOX5PIK3CDHRH3ALDH1A1LMNA
SCHEMBL332437 0.80 ALOX5 (0.63) ALOX5PIK3CDHRH3ALDH1A1TSHR

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 1/4885HTT 4673/4885PIK3CD 1305/4885

“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.