SCHEMBL4320127

SCHEMBL4320127

NC(=O)c1nc(-c2ccc(F)c(-c3ccccc3OCc3cc(F)ccc3F)c2)n[nH]1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 8/20 0.42
AOC3 Q16853 2/20 0.41
SCN9A Q15858 2/20 0.40
FEN1 P39748 2/20 0.38
PDE10A Q9Y233 1/20 0.37
SYK P43405 1/20 0.37
ALKBH1 Q13686 1/20 0.36
BRD4 O60885 1/20 0.35
DPP4 P27487 1/20 0.35
FYN P06241 1/20 0.35

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
SCHEMBL4327329 0.94 PTGER1 (0.47) PTGER1AOC3SCN9AFEN1
SCHEMBL4320240 0.93 PTGER1 (0.42) PTGER1AOC3SCN9AFEN1PDE10A
SCHEMBL4318909 0.91 PTGER1 (0.42) PTGER1AOC3SCN9AFEN1DPP4
SCHEMBL4331646 0.86 PDE10A (0.45) PTGER1AOC3SCN9APDE10A
SCHEMBL4314279 0.85 SCN9A (0.43) PTGER1AOC3SCN9APDE10A
SCHEMBL13754838 0.85 SCN9A (0.47) PTGER1AOC3SCN9AFEN1
SCHEMBL4314077 0.84 AOC3 (0.44) PTGER1AOC3SCN9APDE10A
SCHEMBL4325186 0.84 AOC3 (0.44) PTGER1AOC3SCN9AFEN1PDE10A
SCHEMBL4323200 0.83 PTGER1 (0.50) PTGER1SCN9AFEN1
SCHEMBL4317880 0.83 SCN9A (0.48) PTGER1AOC3SCN9AFEN1

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-20090074890-A1 Substituted Triazoles as Sodium Channel Blockers MERCK SHARP & DOHME CORP. 2009-03-19 US disclosed
US-20090074890-A1 Substituted Triazoles as Sodium Channel Blockers MERCK SHARP & DOHME CORP. 2009-03-19 US disclosed
US-7459475-B2 Substituted triazoles as sodium channel blockers MERCK & CO. INC. (US) 2008-12-02 US disclosed
US-7459475-B2 Substituted triazoles as sodium channel blockers MERCK & CO. INC. (US) 2008-12-02 US disclosed
EP-1694654-A2 SUBSTITUTED TRIAZOLES AS SODIUM CHANNEL BLOCKERS Merck & Co., Inc. (US) 2006-08-30 EP disclosed
US-20060020006-A1 Substituted triazoles as sodium channel blockers MERCK SHARP & DOHME LLC 2006-01-26 US disclosed
WO-2005047270-A2 SUBSTITUTED TRIAZOLES AS SODIUM CHANNEL BLOCKERS MERCK & CO., INC. (US) 2005-05-26 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 (2 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-20090074890-A1 Substituted Triazoles as Sodium Channel Blockers TRPV1, SCN3A, SCN5A PTGER1 964/4885AOC3 2903/4885SCN9A 50/4885
US-20060020006-A1 Substituted triazoles as sodium channel blockers TRPV1, SCN3A, SCN5A PTGER1 964/4885AOC3 3035/4885SCN9A 50/4885

“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.