SCHEMBL831548

SCHEMBL831548

Cc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(=O)NS(=O)(=O)C1CC1)n2Cc1cc([N+](=O)[O-])ccc1O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOX4 Q9NPH5 1/20 0.37
CYP2C8 P10632 1/20 0.36
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
RAB9A P51151 2/20 0.34
GAA P10253 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CTSB P07858 1/20 0.34
AURKA O14965 1/20 0.32
TPX2 Q9ULW0 1/20 0.32
PITRM1 Q5JRX3 1/20 0.32
NPC1 O15118 1/20 0.32
SCN2B O60939 1/20 0.31
SCN1A P35498 1/20 0.31
SCN1B Q07699 1/20 0.31
SCN5A Q14524 1/20 0.31
SCN9A Q15858 1/20 0.31
MAPT P10636 3/20 0.31
SMN1; SMN2 Q16637 3/20 0.31
HTT P42858 2/20 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
SCHEMBL831390 0.93 CYP2C8 (0.39) CYP2C8MEN1KMT2AAURKATPX2
SCHEMBL832004 0.92 CYP2C8 (0.38) CYP2C8MEN1KMT2AGAAL3MBTL1
SCHEMBL831835 0.89 CACNB4 (0.38) NOX4MEN1KMT2ASMN1; SMN2CACNB4
SCHEMBL13905361 0.87 CYP2C8 (0.38) CYP2C8KMT2AAURKATPX2SCN2B
SCHEMBL13905195 0.86 CYP2C8 (0.38) CYP2C8AURKATPX2SCN2BSCN1A
SCHEMBL830779 0.86 CYP2C8 (0.41) CYP2C8MEN1KMT2AAURKATPX2
SCHEMBL10256456 0.85 CYP2C8 (0.42) CYP2C8MEN1KMT2AAURKATPX2
SCHEMBL831480 0.85 CYP2C8 (0.39) CYP2C8MEN1KMT2AAURKATPX2
SCHEMBL832072 0.85 CYP2C8 (0.36) CYP2C8KMT2AAURKATPX2SCN2B
SCHEMBL831674 0.85 CYP2C8 (0.43) CYP2C8MEN1KMT2AGAAL3MBTL1

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 NOX4 4383/4885CYP2C8 847/4885MEN1 2084/4885

“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.