SCHEMBL4333766

SCHEMBL4333766

NC(=O)c1nc(-c2cccc(-c3ccccc3-c3ccccc3F)c2)n[nH]1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
SCN9A Q15858 4/20 0.42
MAOA P21397 1/20 0.41
BLVRB P30043 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
AOC3 Q16853 2/20 0.40
PARP1 P09874 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
GRM2 Q14416 1/20 0.38
CDC7 O00311 1/20 0.38
LDHA P00338 1/20 0.38
PIM1 P11309 1/20 0.37
PIM3 Q86V86 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
SCHEMBL4324627 0.91 NPC1 (0.42) NPC1RAB9ASCN9AMAOABLVRB
SCHEMBL4326411 0.91 NPC1 (0.40) NPC1RAB9ASCN9AAOC3CYP3A4
SCHEMBL4318922 0.90 NPC1 (0.41) NPC1RAB9ASCN9AMAOABLVRB
SCHEMBL4327279 0.89 NPC1 (0.42) NPC1RAB9ASCN9AMAOABLVRB
SCHEMBL4317894 0.89 AOC3 (0.44) NPC1RAB9ASCN9AAOC3PARP1
SCHEMBL4314927 0.89 XPO1 (0.44) NPC1RAB9ASCN9AAOC3PARP1
SCHEMBL4320772 0.89 ATAD2 (0.43) NPC1RAB9ASCN9AAOC3CYP3A4
SCHEMBL4328471 0.88 GRM2 (0.43) NPC1RAB9ASCN9AAOC3CYP3A4
SCHEMBL4327229 0.88 SCN9A (0.42) NPC1RAB9ASCN9AAOC3CYP3A4
SCHEMBL4323190 0.88 CHEK2 (0.42) NPC1RAB9ASCN9AAOC3PARP1

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 NPC1 910/4885RAB9A 2241/4885SCN9A 50/4885
US-20060020006-A1 Substituted triazoles as sodium channel blockers TRPV1, SCN3A, SCN5A NPC1 932/4885RAB9A 2203/4885SCN9A 50/4885

“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.