SCHEMBL832019

SCHEMBL832019

O=C(NS(=O)(=O)C1CCC1)c1c(-c2ccc[nH]c2=O)c2cc(C(F)(F)F)ccc2n1Cc1ccccc1F

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.39
SCN9A Q15858 4/20 0.38
SCN5A Q14524 3/20 0.38
CYP2C8 P10632 1/20 0.38
PPARG P37231 6/20 0.35
ECE1 P42892 1/20 0.35
EPHX2 P34913 1/20 0.34
DCUN1D1 Q96GG9 1/20 0.34
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
LMNA P02545 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL831050 0.97 SCN9A (0.41) KMT2ASCN9ASCN5ACYP2C8PPARG
SCHEMBL831666 0.94 SCN9A (0.39) KMT2ASCN9ASCN5ACYP2C8PPARG
SCHEMBL831578 0.93 SCN9A (0.38) SCN9ASCN5ACYP2C8PPARGGRIN1
SCHEMBL831968 0.90 CYP2C8 (0.40) KMT2ASCN9ASCN5ACYP2C8ECE1
SCHEMBL831488 0.90 SCN9A (0.40) SCN9ASCN5ACYP2C8PPARGGRIN1
SCHEMBL831412 0.90 CYP2C8 (0.41) KMT2ASCN9ASCN5ACYP2C8PPARG
SCHEMBL831764 0.90 CYP2C8 (0.42) KMT2ASCN9ASCN5ACYP2C8ECE1
SCHEMBL831787 0.88 CYP2C8 (0.40) KMT2ACYP2C8ECE1GRIN1GRIN2B
SCHEMBL831037 0.88 CYP2C8 (0.42) KMT2ASCN9ACYP2C8ECE1LMNA
SCHEMBL831415 0.88 PPARG (0.46) KMT2ASCN9ASCN5ACYP2C8PPARG

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
US-8143305-B2 2,3-substituted indole derivatives for treating viral infections SCHERING CORPORATION (US) 2012-03-27 US 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
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 KMT2A 321/4885SCN9A 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.