SCHEMBL862647

SCHEMBL862647

CCOc1ccc2c(c1)c(-c1cccnc1OC)c(C(=O)NS(C)(=O)=O)n2Cc1cc(F)ccc1F

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 4/20 0.41
PPARG P37231 2/20 0.40
SCN9A Q15858 13/20 0.38
SCN5A Q14524 2/20 0.38
ABCB11 O95342 1/20 0.38
CYP2C9 P11712 1/20 0.38
SCN1A P35498 1/20 0.38
SCN4A P35499 1/20 0.38
SCN2A Q99250 1/20 0.38
SCN3A Q9NY46 1/20 0.38
SCN8A Q9UQD0 1/20 0.38
SCN10A Q9Y5Y9 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
SCHEMBL831243 0.88 EDNRB (0.43) EDNRBPPARGSCN9ASCN5A
SCHEMBL832411 0.88 EDNRB (0.49) EDNRBPPARG
SCHEMBL832410 0.87 EDNRB (0.44) EDNRBPPARG
SCHEMBL830885 0.84 EDNRB (0.40) EDNRBPPARGSCN9ASCN5A
SCHEMBL830764 0.83 PPARG (0.48) EDNRBPPARGSCN9A
SCHEMBL14802301 0.83 SCN9A (0.42) SCN9ASCN5AABCB11CYP2C9SCN1A
SCHEMBL830903 0.82 PPARG (0.42) EDNRBPPARGSCN9ASCN5A
SCHEMBL13395460 0.82 SCN9A (0.40) SCN9ASCN5AABCB11CYP2C9SCN1A
SCHEMBL829942 0.81 EDNRB (0.37) EDNRBPPARGSCN9ASCN5ASCN1A
SCHEMBL862452 0.81 SCN9A (0.42) 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 EDNRB 1094/4885PPARG 4093/4885SCN9A 3807/4885

“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.