SCHEMBL4486286

SCHEMBL4486286

O=C(O)c1cn(-c2cccc(Br)c2)nc1C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.52
ALDH1A1 P00352 3/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ATM Q13315 1/20 0.46
DGAT1 O75907 7/20 0.45

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
SCHEMBL408724 0.85 DGAT1 (0.46) SMN1; SMN2ALDH1A1MEN1KMT2AKDM4E
SCHEMBL408273 0.84 DGAT1 (0.54) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL4486967 0.82 DGAT1 (0.52) SMN1; SMN2ALDH1A1MEN1KMT2AKDM4E
SCHEMBL3829929 0.81 NOTUM (0.48) HTTDGAT1
SCHEMBL4296607 0.80 DGAT1 (0.68) DGAT1
SCHEMBL408677 0.80 NOTUM (0.42) ALDH1A1DGAT1
SCHEMBL28192192 0.79 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1MAPTHTTMEN1
SCHEMBL4294988 0.77 DGAT1 (0.55) SMN1; SMN2ALDH1A1MAPTKDM4EDGAT1
SCHEMBL4500053 0.76 SMN1; SMN2 (0.55) SMN1; SMN2ALDH1A1MAPTHTTMEN1
SCHEMBL408727 0.76 DGAT1 (0.39) SMN1; SMN2ALDH1A1KDM4EDGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7589116-B2 Biaryl substituted pyrazoles as sodium channel blockers MERCK & CO. INC. (US) 2009-09-15 US disclosed
CN-101333192-A Biaryl substituted pyrazoles as sodium channel blockers MERCK & CO INC (US) 2008-12-31 CN disclosed
EP-1615895-A4 BIARYL SUBSTITUTED PYRAZOLES AS SODIUM CHANNEL BLOCKERS MERCK & CO INC (US) 2007-11-07 EP disclosed
US-20060183785-A1 Biaryl substituted pyrazoles as sodium channel blockers MERCK SHARP & DOHME CORP. 2006-08-17 US disclosed
CN-1798738-A Biaryl substituted pyrazoles as sodium channel blockers MERCK & CO INC (US) 2006-07-05 CN disclosed
EP-1615895-A1 BIARYL SUBSTITUTED PYRAZOLES AS SODIUM CHANNEL BLOCKERS Merck & Co., Inc. (US) 2006-01-18 EP disclosed
WO-2004092140-A1 BIARYL SUBSTITUTED PYRAZOLES AS SODIUM CHANNEL BLOCKERS MERCK & CO., INC. (US) 2004-10-28 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-20060183785-A1 Biaryl substituted pyrazoles as sodium channel blockers TRPV1, TRPA1, TRPV3 SMN1; SMN2 836/4885ALDH1A1 995/4885MAPT 2783/4885

“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.