SCHEMBL4327329

SCHEMBL4327329

NC(=O)c1nc(-c2ccc(F)c(-c3ccccc3OCc3ccc(F)cc3F)c2)n[nH]1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 11/20 0.47
AOC3 Q16853 2/20 0.41
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
FEN1 P39748 1/20 0.39
SCN9A Q15858 1/20 0.39
MAPK14 Q16539 3/20 0.39
CYP1A1 P04798 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP1B1 Q16678 1/20 0.38

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
SCHEMBL4320127 0.94 PTGER1 (0.42) PTGER1AOC3FEN1SCN9A
SCHEMBL4320240 0.92 PTGER1 (0.42) PTGER1AOC3FEN1SCN9A
SCHEMBL4323200 0.90 PTGER1 (0.50) PTGER1CYP3A4CYP2C9CYP2C19FEN1
SCHEMBL4331646 0.85 PDE10A (0.45) PTGER1AOC3SCN9A
SCHEMBL4314279 0.85 SCN9A (0.43) PTGER1AOC3SCN9AMAPK14CYP1A2
SCHEMBL4318909 0.84 PTGER1 (0.42) PTGER1AOC3CYP3A4CYP2C9FEN1
SCHEMBL13754838 0.84 SCN9A (0.47) PTGER1AOC3CYP3A4CYP2C9FEN1
SCHEMBL4314077 0.83 AOC3 (0.44) PTGER1AOC3CYP3A4CYP2C9CYP2C19
SCHEMBL4325186 0.83 AOC3 (0.44) PTGER1AOC3FEN1SCN9AMAPK14
SCHEMBL4317880 0.82 SCN9A (0.48) PTGER1AOC3CYP3A4CYP2C9FEN1

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 2903/4885CYP3A4 699/4885
US-20060020006-A1 Substituted triazoles as sodium channel blockers TRPV1, SCN3A, SCN5A PTGER1 964/4885AOC3 3035/4885CYP3A4 695/4885

“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.