SCHEMBL331664

SCHEMBL331664

CNC(=O)C1(c2cccc(Sc3ccc(-c4ccnn4C)cc3)c2F)CCOCC1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.55
HDAC4 P56524 5/20 0.39
CD274 Q9NZQ7 1/20 0.37
HDAC9 Q9UKV0 2/20 0.35
ABL1 P00519 1/20 0.33
AKT1 P31749 1/20 0.33
PORCN Q9H237 1/20 0.32
PIK3CD O00329 1/20 0.32
AXL P30530 1/20 0.32
P2RX7 Q99572 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
SCHEMBL332517 0.89 ALOX5 (0.67) ALOX5HDAC4CD274HDAC9ABL1
SCHEMBL332471 0.88 ALOX5 (0.54) ALOX5HDAC4CD274HDAC9ABL1
SCHEMBL332628 0.80 ALOX5 (0.63) ALOX5CD274ABL1PIK3CDP2RX7
SCHEMBL332552 0.80 ALOX5 (0.55) ALOX5HDAC4CD274HDAC9ABL1
SCHEMBL3660567 0.79 ALOX5 (0.46) ALOX5HDAC4CD274PIK3CD
SCHEMBL332390 0.79 ALOX5 (0.61) ALOX5CD274ABL1AKT1AXL
SCHEMBL332324 0.77 ALOX5 (0.66) ALOX5HDAC4CD274ABL1AKT1
SCHEMBL10193056 0.74 ALOX5 (0.48) ALOX5CD274ABL1AKT1PIK3CD
SCHEMBL332778 0.74 ALOX5 (0.67) ALOX5HDAC4CD274ABL1AKT1
SCHEMBL332240 0.72 ALOX5 (0.76) ALOX5HDAC4CD274ABL1AKT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227634-A1 Pyrazole Derivatives as 5-LO-Inhibitors PFIZER INC. 2009-09-10 US 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 1/4885HDAC4 3124/4885CD274 2601/4885

“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.