Sugi Predict

Sugi Predict / Compounds / SCHEMBL4320132

SCHEMBL4320132

SCHEMBL4320132

NC(=O)c1nc(-c2ccc(F)c(-c3cc(F)ccc3OC(F)(F)F)c2)n[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 15/20 0.48
▸ CYP2C9 P11712 3/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ CYP2D6 P10635 2/20 0.40
▸ AOC3 Q16853 2/20 0.39
▸ SCN10A Q9Y5Y9 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ TRPA1 O75762 1/20 0.34
▸ MAP2 P11137 1/20 0.34

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
SCHEMBL4491094 0.91 SCN9A (0.59) SCN9ACYP2C9CYP3A4CYP2D6AOC3
SCHEMBL4329519 0.87 SCN9A (0.51) SCN9ACYP2C9CYP3A4CYP2D6AOC3
SCHEMBL4483669 0.84 SCN9A (0.56) SCN9ACYP2C9CYP3A4CYP2D6SCN10A
SCHEMBL13993218 0.82 AOC3 (0.40) AOC3
SCHEMBL13993220 0.82 S1PR1 (0.47) SCN9ACYP2C9CYP3A4CYP2D6AOC3
SCHEMBL4314151 0.81 SCN9A (0.46) SCN9ACYP2C9CYP3A4CYP2D6AOC3
SCHEMBL4319729 0.80 SCN9A (0.48) SCN9ACYP2C9CYP3A4CYP2D6AOC3
SCHEMBL4320141 0.79 CHEK2 (0.42) AOC3NPC1MAPK1RAB9A
SCHEMBL4324341 0.79 SCN9A (0.54) SCN9ACYP2C9CYP3A4CYP2D6SCN10A
SCHEMBL4320588 0.79 CHEK2 (0.42) AOC3NPC1MAPK1RAB9ASMN1; SMN2

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 SCN9A 50/4885CYP2C9 565/4885CYP3A4 699/4885
US-20060020006-A1 Substituted triazoles as sodium channel blockers TRPV1, SCN3A, SCN5A SCN9A 50/4885CYP2C9 574/4885CYP3A4 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.