SCHEMBL862452

SCHEMBL862452

COc1ncccc1-c1c(C(=O)NS(C)(=O)=O)n(Cc2ccc(F)cc2F)c2cc(Cl)c(Cl)cc12

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 20/20 0.42
SCN5A Q14524 3/20 0.41
ABCB11 O95342 1/20 0.41
CYP2C9 P11712 1/20 0.41
SCN1A P35498 1/20 0.41
SCN4A P35499 1/20 0.41
SCN2A Q99250 1/20 0.41
SCN3A Q9NY46 1/20 0.41
SCN8A Q9UQD0 1/20 0.41
SCN10A Q9Y5Y9 1/20 0.41

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
SCHEMBL832811 0.88 TP53 (0.43)
SCHEMBL832949 0.85 KMT2A (0.40)
SCHEMBL13395482 0.84 SCN9A (0.36) SCN9ASCN5AABCB11CYP2C9SCN1A
SCHEMBL862210 0.82 CYP2C8 (0.46) SCN9ASCN5A
SCHEMBL14802301 0.81 SCN9A (0.42) SCN9ASCN5AABCB11CYP2C9SCN1A
SCHEMBL862647 0.81 EDNRB (0.41) SCN9ASCN5AABCB11CYP2C9SCN1A
SCHEMBL14802293 0.80 PPARG (0.39) SCN9ASCN5ACYP2C9
SCHEMBL831658 0.77 PPARG (0.48)
SCHEMBL862252 0.77 SCN9A (0.38) SCN9ASCN5AABCB11CYP2C9SCN1A
SCHEMBL13395460 0.76 SCN9A (0.40) SCN9ASCN5AABCB11CYP2C9SCN1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 SCN9A 3807/4885SCN5A 1398/4885ABCB11 4100/4885

“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.