SCHEMBL4320064

SCHEMBL4320064

NC(=O)c1nc(-c2cccc(-c3ccccc3OCc3ccccc3)c2)n[nH]1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 13/20 0.55
PTGER4 P35408 6/20 0.55
PTGER3 P43115 6/20 0.55
PTGER2 P43116 6/20 0.55
BRD4 O60885 1/20 0.49
RXRA P19793 1/20 0.49
RXRB P28702 1/20 0.49
RXRG P48443 1/20 0.49
MCL1 Q07820 1/20 0.47
CYP2C9 P11712 1/20 0.45
FEN1 P39748 1/20 0.43
DHODH Q02127 1/20 0.43

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
SCHEMBL4329018 0.93 PTGER1 (0.47) PTGER1PTGER4PTGER3PTGER2BRD4
SCHEMBL4327295 0.86 PTGER1 (0.43) PTGER1PTGER4PTGER3PTGER2CYP2C9
SCHEMBL13913166 0.85 RXRA (0.53) PTGER1PTGER4PTGER3PTGER2BRD4
SCHEMBL4314140 0.85 PTGER1 (0.41) PTGER1PTGER4PTGER3PTGER2CYP2C9
SCHEMBL13754841 0.84 SCN9A (0.52) CYP2C9FEN1
SCHEMBL4323200 0.84 PTGER1 (0.50) PTGER1PTGER4PTGER3PTGER2CYP2C9
SCHEMBL4318909 0.84 PTGER1 (0.42) PTGER1PTGER4PTGER3PTGER2CYP2C9
SCHEMBL4320772 0.83 ATAD2 (0.43) CYP2C9DHODH
SCHEMBL4321718 0.82 SCN9A (0.54) CYP2C9
SCHEMBL1400166 0.81 SCN9A (0.65) CYP2C9

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 PTGER1 964/4885PTGER4 1065/4885PTGER3 622/4885
US-20060020006-A1 Substituted triazoles as sodium channel blockers TRPV1, SCN3A, SCN5A PTGER1 964/4885PTGER4 1062/4885PTGER3 623/4885

“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.