SCHEMBL4318909

SCHEMBL4318909

NC(=O)c1nc(-c2cccc(-c3ccccc3OCc3cc(F)ccc3F)c2)n[nH]1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 11/20 0.42
SCN9A Q15858 4/20 0.41
PTGER4 P35408 5/20 0.40
PTGER3 P43115 5/20 0.40
PTGER2 P43116 5/20 0.40
CYP2C9 P11712 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
FEN1 P39748 2/20 0.40
AOC3 Q16853 2/20 0.39
DPP4 P27487 1/20 0.37

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
SCHEMBL4323200 0.93 PTGER1 (0.50) PTGER1SCN9APTGER4PTGER3PTGER2
SCHEMBL4327295 0.92 PTGER1 (0.43) PTGER1SCN9APTGER4PTGER3PTGER2
SCHEMBL4314140 0.91 PTGER1 (0.41) PTGER1SCN9APTGER4PTGER3PTGER2
SCHEMBL4320127 0.91 PTGER1 (0.42) PTGER1SCN9AFEN1AOC3DPP4
SCHEMBL4329018 0.87 PTGER1 (0.47) PTGER1SCN9APTGER4PTGER3PTGER2
SCHEMBL4320064 0.84 PTGER1 (0.55) PTGER1PTGER4PTGER3PTGER2CYP2C9
SCHEMBL4327329 0.84 PTGER1 (0.47) PTGER1SCN9ACYP2C9CYP3A4FEN1
SCHEMBL4320240 0.83 PTGER1 (0.42) PTGER1SCN9AFEN1AOC3
SCHEMBL4324627 0.82 NPC1 (0.42) SCN9ACYP2C9CYP3A4CYP2D6AOC3
SCHEMBL13754841 0.81 SCN9A (0.52) SCN9ACYP2C9CYP3A4CYP2D6FEN1

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 5 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
US-20060020006-A1 Substituted triazoles as sodium channel blockers MERCK SHARP & DOHME LLC 2006-01-26 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 (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 964/4885SCN9A 50/4885PTGER4 1065/4885
US-20060020006-A1 Substituted triazoles as sodium channel blockers TRPV1, SCN3A, SCN5A PTGER1 964/4885SCN9A 50/4885PTGER4 1062/4885

“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.