SCHEMBL831480

SCHEMBL831480

O=C(NS(=O)(=O)C1CC1)c1c(-c2ccc[nH]c2=O)c2cc(Cl)ccc2n1Cc1cc([N+](=O)[O-])ccc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C8 P10632 1/20 0.39
AURKA O14965 1/20 0.36
TPX2 Q9ULW0 1/20 0.36
TRPM4 Q8TD43 1/20 0.34
SCN9A Q15858 5/20 0.33
KMT2A Q03164 3/20 0.33
FLT1 P17948 5/20 0.33
FLT4 P35916 5/20 0.33
KDR P35968 5/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
SCN2B O60939 1/20 0.32
SCN1A P35498 1/20 0.32
SCN1B Q07699 1/20 0.32
SCN5A Q14524 1/20 0.32
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
CCR2 P41597 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
SCHEMBL8864129 0.94 CYP2C8 (0.39) CYP2C8AURKATPX2TRPM4SCN9A
SCHEMBL831390 0.92 CYP2C8 (0.39) CYP2C8AURKATPX2SCN9AKMT2A
SCHEMBL832072 0.91 CYP2C8 (0.36) CYP2C8AURKATPX2SCN9AKMT2A
SCHEMBL831906 0.91 SCN9A (0.38) CYP2C8SCN9AKMT2AFLT1FLT4
SCHEMBL10257265 0.90 CYP2C8 (0.41) CYP2C8AURKATPX2TRPM4SCN9A
SCHEMBL833251 0.90 CYP2C8 (0.36) CYP2C8AURKATPX2SCN9AKMT2A
SCHEMBL831406 0.90 CYP2C8 (0.43) CYP2C8AURKATPX2TRPM4SCN9A
SCHEMBL831673 0.89 CYP2C8 (0.48) CYP2C8AURKATPX2SCN9AKMT2A
SCHEMBL832190 0.89 CYP2C8 (0.38) CYP2C8SCN9AKMT2ASCN1ASCN5A
SCHEMBL832004 0.87 CYP2C8 (0.38) CYP2C8AURKATPX2KMT2AFLT1

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 CYP2C8 847/4885AURKA 1855/4885TPX2 1329/4885

“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.