SCHEMBL332097

SCHEMBL332097

CN(C)/C=C/C(=O)c1ccc(Sc2cccc(C3(C(N)=O)CCOCC3)c2)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.46
HSP90AA1 P07900 2/20 0.37
ALDH1A1 P00352 3/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAPT P10636 4/20 0.36
HTT P42858 3/20 0.36
GAA P10253 2/20 0.36
HPGD P15428 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
RAB9A P51151 1/20 0.34
POLB P06746 1/20 0.34
ITGB2 P05107 2/20 0.33
ICAM1 P05362 2/20 0.33
ITGAL P20701 2/20 0.33
RECQL P46063 1/20 0.33
PTGS2 P35354 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
SCHEMBL332098 1.00 ALOX5 (0.46) ALOX5HSP90AA1ALDH1A1CYP1A2CYP2C19
SCHEMBL332843 0.85 ALOX5 (0.52) ALOX5ALDH1A1CYP2C19MAPTTDP1
SCHEMBL332234 0.76 ALOX5 (0.44) ALOX5HSP90AA1ALDH1A1CYP1A2CYP2C19
SCHEMBL332233 0.76 ALOX5 (0.44) ALOX5HSP90AA1ALDH1A1CYP1A2CYP2C19
SCHEMBL332786 0.74 ALOX5 (0.61) ALOX5
SCHEMBL332226 0.73 ALOX5 (0.66) ALOX5ALDH1A1CYP2C19MAPTHPGD
SCHEMBL7654887 0.72 ALOX5 (0.68) ALOX5ALDH1A1LMNA
SCHEMBL333261 0.71 ALOX5 (0.58) ALOX5ALDH1A1CYP2C19MAPTTDP1
SCHEMBL13201380 0.71 ALOX5 (0.58) ALOX5ALDH1A1CYP2C19MAPTTDP1
SCHEMBL333542 0.70 ALOX5 (0.56) ALOX5ALDH1A1MAPTLMNAITGB2

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 ALOX5 1/4885HSP90AA1 3971/4885ALDH1A1 224/4885

“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.