SCHEMBL4320150

SCHEMBL4320150

NC(=O)c1nc(-c2ccc(F)c(-c3ccccc3-c3cc(F)cc(F)c3)c2)n[nH]1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.40
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
SCN9A Q15858 1/20 0.37
DHODH Q02127 1/20 0.35
CHEK2 O96017 1/20 0.34
FYN P06241 1/20 0.34
GRM2 Q14416 1/20 0.34
CDC7 O00311 1/20 0.34
TGFBR1 P36897 2/20 0.34
PTGER1 P34995 1/20 0.33
IDO1 P14902 1/20 0.33
CPT1A P50416 1/20 0.33
GRM5 P41594 1/20 0.33

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
SCHEMBL4323190 0.91 CHEK2 (0.42) AOC3NPC1RAB9ASCN9ADHODH
SCHEMBL5001287 0.91 AOC3 (0.43) AOC3NPC1RAB9ASCN9ADHODH
SCHEMBL4327229 0.87 SCN9A (0.42) AOC3NPC1RAB9ASCN9ACHEK2
SCHEMBL13913158 0.86 ADORA2A (0.42) AOC3NPC1RAB9ASCN9ACDC7
SCHEMBL4324627 0.85 NPC1 (0.42) AOC3NPC1RAB9ASCN9ADHODH
SCHEMBL13993228 0.85 AOC3 (0.41) AOC3NPC1RAB9ASCN9ADHODH
SCHEMBL4321753 0.85 AOC3 (0.38) AOC3NPC1RAB9ASCN9ADHODH
SCHEMBL4320588 0.84 CHEK2 (0.42) AOC3NPC1RAB9ACHEK2FYN
SCHEMBL4320141 0.84 CHEK2 (0.42) AOC3NPC1RAB9ACHEK2FYN
SCHEMBL4314151 0.83 SCN9A (0.46) AOC3SCN9ACHEK2

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 AOC3 2903/4885NPC1 910/4885RAB9A 2241/4885
US-20060020006-A1 Substituted triazoles as sodium channel blockers TRPV1, SCN3A, SCN5A AOC3 3035/4885NPC1 932/4885RAB9A 2203/4885

“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.