SCHEMBL831583

SCHEMBL831583

Cc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(=O)NS(=O)(=O)C(C)C)n2Cc1cc([N+](=O)[O-])ccc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C8 P10632 1/20 0.39
KMT2A Q03164 4/20 0.33
S1PR3 Q99500 2/20 0.33
MAPT P10636 4/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
CDK2 P24941 1/20 0.32
LMNA P02545 4/20 0.31
HTT P42858 3/20 0.31
PPARG P37231 2/20 0.31
MEN1 O00255 2/20 0.31
PTGDR2 Q9Y5Y4 2/20 0.31
SLC5A1 P13866 1/20 0.31
NCOA1 Q15788 1/20 0.31
NCOA3 Q9Y6Q9 1/20 0.31
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
PLA2G2A P14555 1/20 0.31
RAD52 P43351 1/20 0.30
AKR1B1 P15121 1/20 0.30

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
SCHEMBL13905359 0.94 CYP2C8 (0.39) CYP2C8KMT2APTGDR2
SCHEMBL831753 0.92 CYP2C8 (0.41) CYP2C8KMT2AS1PR3MAPTSMN1; SMN2
SCHEMBL831233 0.90 CYP2C8 (0.42) CYP2C8KMT2AMEN1PTGDR2
SCHEMBL832425 0.90 CYP2C8 (0.39) CYP2C8KMT2AS1PR3MAPTSMN1; SMN2
SCHEMBL832507 0.90 CYP2C8 (0.40) CYP2C8KMT2APPARGPTGDR2AKR1B1
SCHEMBL831226 0.89 CYP2C8 (0.40) CYP2C8KMT2APPARGMEN1PTGDR2
SCHEMBL831703 0.89 CYP2C8 (0.44) CYP2C8KMT2AMAPTMEN1PTGDR2
SCHEMBL831390 0.89 CYP2C8 (0.39) CYP2C8KMT2AMAPTSMN1; SMN2CDK2
SCHEMBL832419 0.88 CYP2C8 (0.39) CYP2C8KMT2AS1PR3MAPTSMN1; SMN2
SCHEMBL8860851 0.88 CYP2C8 (0.39) CYP2C8KMT2APTGDR2AKR1B1

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 847/4885KMT2A 321/4885S1PR3 1346/4885

“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.