SCHEMBL831406

SCHEMBL831406

O=C(NS(=O)(=O)C1CC1)c1c(-c2ccc[nH]c2=O)c2cc(Cl)ccc2n1Cc1ccccc1F

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C8 P10632 1/20 0.43
KMT2A Q03164 3/20 0.41
TRPM4 Q8TD43 1/20 0.39
AURKA O14965 1/20 0.38
TPX2 Q9ULW0 1/20 0.38
PTGDR2 Q9Y5Y4 2/20 0.37
SCN9A Q15858 4/20 0.35
MAPT P10636 2/20 0.35
KRAS P01116 1/20 0.35
THRB P10828 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SCN2B O60939 1/20 0.34
SCN1A P35498 1/20 0.34
SCN1B Q07699 1/20 0.34
SCN5A Q14524 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL831037 0.97 CYP2C8 (0.42) CYP2C8KMT2ATRPM4AURKATPX2
SCHEMBL10257265 0.93 CYP2C8 (0.41) CYP2C8KMT2ATRPM4AURKATPX2
SCHEMBL862159 0.92 KMT2A (0.42) CYP2C8KMT2APTGDR2SCN9AMAPT
SCHEMBL831674 0.91 CYP2C8 (0.43) CYP2C8KMT2AAURKATPX2PTGDR2
SCHEMBL831822 0.90 CYP2C8 (0.45) CYP2C8KMT2AAURKATPX2SCN9A
SCHEMBL831480 0.90 CYP2C8 (0.39) CYP2C8KMT2ATRPM4AURKATPX2
SCHEMBL831050 0.89 SCN9A (0.41) CYP2C8KMT2ASCN9ASCN2BSCN1A
SCHEMBL831751 0.89 CYP2C8 (0.41) CYP2C8KMT2AAURKATPX2PTGDR2
SCHEMBL8864129 0.89 CYP2C8 (0.39) CYP2C8KMT2ATRPM4AURKATPX2
SCHEMBL831554 0.89 CYP2C8 (0.47) CYP2C8KMT2APTGDR2MAPTKDM4E

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 CYP2C8 847/4885KMT2A 321/4885TRPM4 3299/4885

“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.