SCHEMBL832190

SCHEMBL832190

O=C(NS(=O)(=O)C1CC1)c1c(-c2ccc[nH]c2=O)c2cc(C3CC3)c(F)cc2n1Cc1cc([N+](=O)[O-])ccc1F

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2C8 P10632 1/20 0.38
SCN9A Q15858 17/20 0.35
SCN5A Q14524 5/20 0.32
SCN1A P35498 2/20 0.32
SCN2A Q99250 2/20 0.32
SCN8A Q9UQD0 2/20 0.32
SCN7A Q01118 2/20 0.32
CYP2C9 P11712 1/20 0.32
NOX4 Q9NPH5 1/20 0.32
KMT2A Q03164 1/20 0.31

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
SCHEMBL831673 0.91 CYP2C8 (0.48) CYP2C8SCN9ASCN5ASCN1ASCN2A
SCHEMBL831480 0.89 CYP2C8 (0.39) CYP2C8SCN9ASCN5ASCN1AKMT2A
SCHEMBL12665594 0.88 CYP2C8 (0.48) CYP2C8NOX4KMT2A
SCHEMBL831390 0.88 CYP2C8 (0.39) CYP2C8SCN9ASCN5ASCN1ACYP2C9
SCHEMBL12665827 0.88 CYP2C8 (0.43) CYP2C8NOX4KMT2A
SCHEMBL13209944 0.88 CYP2C8 (0.37) CYP2C8SCN9ASCN5AKMT2A
SCHEMBL831906 0.87 SCN9A (0.38) CYP2C8SCN9ASCN5ASCN1AKMT2A
SCHEMBL832072 0.87 CYP2C8 (0.36) CYP2C8SCN9ASCN5ASCN1AKMT2A
SCHEMBL833251 0.86 CYP2C8 (0.36) CYP2C8SCN9ASCN5ASCN1AKMT2A
SCHEMBL13395315 0.85 CYP2C8 (0.34) CYP2C8

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2197842-B1 2, 3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS SCHERING CORP (US) 2012-05-23 EP disclosed
US-8143305-B2 2,3-substituted indole derivatives for treating viral infections SCHERING CORPORATION (US) 2012-03-27 US disclosed
US-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS MERCK SHARP & DOHME CORP. 2011-02-10 US disclosed
WO-2009032116-A1 2, 3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS SCHERING CORPORATION (US) 2009-03-12 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 (1 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-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS IDO2, IDO1, IRF3 CYP2C8 847/4885SCN9A 3807/4885SCN5A 1398/4885

“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.