SCHEMBL332541

SCHEMBL332541

Cn1nccc1C(=O)c1ccc(F)cc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMO Q99835 2/20 0.45
ATM Q13315 2/20 0.44
KMT2A Q03164 2/20 0.44
HTT P42858 1/20 0.43
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
SCN10A Q9Y5Y9 1/20 0.39
NTRK1 P04629 1/20 0.36
P2RX7 Q99572 2/20 0.36
ADAMTS7 Q9UKP4 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CES2 O00748 1/20 0.36

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
SCHEMBL332929 0.81 HTT (0.52) HTTSCN10AP2RX7
SCHEMBL28462767 0.77 KMT2A (0.55) ATMKMT2AHCRTR1HCRTR2P2RX7
SCHEMBL332638 0.73 HTT (0.71) ATMKMT2AHTTSCN10AL3MBTL1
SCHEMBL27278396 0.72 HTT (0.67) KMT2AHTTL3MBTL1
SCHEMBL2074860 0.71 KMT2A (0.49) SMOATMKMT2AHCRTR1HCRTR2
SCHEMBL30133947 0.71 KMT2A (0.49) SMOATMKMT2AHCRTR1HCRTR2
SCHEMBL334641 0.70 KEAP1 (0.52) ATMKMT2AHCRTR1HCRTR2CES2
SCHEMBL5657844 0.70 PTGS1 (0.46) ATMKMT2AHCRTR1HCRTR2P2RX7
SCHEMBL5655050 0.69 GRM4 (0.50) ATMKMT2AHTTP2RX7L3MBTL1
SCHEMBL3213469 0.69 CES2 (0.48) SMOATMKMT2AHCRTR1HCRTR2

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 SMO 3657/4885ATM 4097/4885KMT2A 3974/4885

“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.