SCHEMBL333240

SCHEMBL333240

C[C@H]1C[C@@](C#N)(c2cccc(Sc3ccc(-c4ccnn4C)cc3)c2)CCO1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 6/20 0.43
PIK3CD O00329 2/20 0.35
NAAA Q02083 1/20 0.33
OTUD7B Q6GQQ9 3/20 0.31
USP30 Q70CQ3 1/20 0.31
KMT2A Q03164 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
SCHEMBL332729 0.88 ALOX5 (0.32) ALOX5PIK3CD
SCHEMBL332725 0.88 ALOX5 (0.53) ALOX5PIK3CDNAAAOTUD7BUSP30
SCHEMBL332345 0.88 ALOX5 (0.42) ALOX5NAAAOTUD7BUSP30
SCHEMBL3655644 0.85 ALOX5 (0.42) ALOX5NAAAOTUD7BUSP30
SCHEMBL12156883 0.81 ALOX5 (0.38) ALOX5NAAAOTUD7B
SCHEMBL332739 0.81 ALOX5 (0.38) ALOX5NAAAOTUD7B
SCHEMBL332822 0.80 ALOX5 (0.63) ALOX5PIK3CD
SCHEMBL7802711 0.79 ALOX5 (0.55) ALOX5PIK3CD
SCHEMBL8166281 0.79 ALOX5 (0.55) ALOX5PIK3CD
SCHEMBL8172193 0.79 ALOX5 (0.55) ALOX5PIK3CD

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 2 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-20090227634-A1 Pyrazole Derivatives as 5-LO-Inhibitors PFIZER INC. 2009-09-10 US 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 1305/4885NAAA 2503/4885

“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.