SCHEMBL4331646

SCHEMBL4331646

CCOc1ccccc1-c1cc(-c2n[nH]c(C(N)=O)n2)ccc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.45
SCN9A Q15858 2/20 0.44
AOC3 Q16853 2/20 0.44
KDM4E B2RXH2 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
RXFP1 Q9HBX9 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
USP2 O75604 2/20 0.41
TSHR P16473 2/20 0.41
HSD17B10 Q99714 2/20 0.41
LMNA P02545 1/20 0.41
PTGER1 P34995 1/20 0.40
PTPRC P08575 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NLRP3 Q96P20 1/20 0.39
FGFR1 P11362 1/20 0.39
FGFR2 P21802 1/20 0.39
S1PR1 P21453 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
SCHEMBL4314279 0.93 SCN9A (0.43) PDE10ASCN9AAOC3KDM4EMEN1
SCHEMBL4314077 0.91 AOC3 (0.44) PDE10ASCN9AAOC3MEN1KMT2A
SCHEMBL13754838 0.88 SCN9A (0.47) SCN9AAOC3PTGER1
SCHEMBL4325186 0.87 AOC3 (0.44) PDE10ASCN9AAOC3TSHRPTGER1
SCHEMBL4320127 0.86 PTGER1 (0.42) PDE10ASCN9AAOC3PTGER1
SCHEMBL4317880 0.86 SCN9A (0.48) SCN9AAOC3PTGER1
SCHEMBL4320240 0.86 PTGER1 (0.42) PDE10ASCN9AAOC3PTGER1
SCHEMBL4327329 0.85 PTGER1 (0.47) SCN9AAOC3PTGER1
SCHEMBL4322395 0.85 SCN9A (0.44) SCN9AAOC3PTGER1
SCHEMBL4491094 0.84 SCN9A (0.59) SCN9AAOC3

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 PDE10A 955/4885SCN9A 50/4885AOC3 2903/4885
US-20060020006-A1 Substituted triazoles as sodium channel blockers TRPV1, SCN3A, SCN5A PDE10A 884/4885SCN9A 50/4885AOC3 3035/4885

“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.