SCHEMBL832004

SCHEMBL832004

Cc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(=O)NS(=O)(=O)C1CC1)n2Cc1cc([N+](=O)[O-])ccc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C8 P10632 1/20 0.38
ALDH1A1 P00352 4/20 0.38
LMNA P02545 3/20 0.38
KDM4E B2RXH2 1/20 0.38
AURKA O14965 2/20 0.35
TPX2 Q9ULW0 2/20 0.35
KMT2A Q03164 5/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
MEN1 O00255 3/20 0.33
MAPT P10636 3/20 0.33
POLB P06746 2/20 0.33
XBP1 P17861 1/20 0.33
HTT P42858 1/20 0.33
RECQL P46063 1/20 0.33
FLT1 P17948 1/20 0.33
FLT4 P35916 1/20 0.33
KDR P35968 1/20 0.33
TDP1 Q9NUW8 2/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
PTGDR2 Q9Y5Y4 2/20 0.32

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
SCHEMBL13905195 0.94 CYP2C8 (0.38) CYP2C8ALDH1A1LMNAKDM4EAURKA
SCHEMBL831548 0.92 NOX4 (0.37) CYP2C8LMNAAURKATPX2KMT2A
SCHEMBL831390 0.92 CYP2C8 (0.39) CYP2C8LMNAAURKATPX2KMT2A
SCHEMBL831166 0.92 ALDH1A1 (0.37) CYP2C8ALDH1A1LMNAKDM4EAURKA
SCHEMBL831948 0.91 CYP2C8 (0.40) CYP2C8ALDH1A1LMNAKDM4EKMT2A
SCHEMBL831835 0.89 CACNB4 (0.38) ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL831480 0.87 CYP2C8 (0.39) CYP2C8ALDH1A1LMNAKDM4EAURKA
SCHEMBL13905361 0.86 CYP2C8 (0.38) CYP2C8AURKATPX2KMT2APTGDR2
SCHEMBL830779 0.85 CYP2C8 (0.41) CYP2C8ALDH1A1AURKATPX2KMT2A
SCHEMBL10256456 0.85 CYP2C8 (0.42) CYP2C8ALDH1A1AURKATPX2KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2197842-B1 2, 3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS SCHERING CORP (US) 2012-05-23 EP 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

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 847/4885ALDH1A1 1792/4885LMNA 3804/4885

“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.