SCHEMBL832091

SCHEMBL832091

Cc1ccc2c(c1)c(-c1ccc(C)[nH]c1=O)c(C(=O)NS(=O)(=O)C1CC1)n2Cc1cc([N+](=O)[O-])ccc1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MOGAT2 Q3SYC2 3/20 0.35
CYP2C9 P11712 3/20 0.35
SCN9A Q15858 8/20 0.32
SCN5A Q14524 6/20 0.32
MGAT2 Q10469 1/20 0.32
SCN1A P35498 2/20 0.32
SCN2B O60939 2/20 0.32
SCN1B Q07699 2/20 0.32
CDK2 P24941 1/20 0.31
SCN7A Q01118 1/20 0.31
SCN2A Q99250 1/20 0.31
SCN8A Q9UQD0 1/20 0.31
LMNA P02545 3/20 0.31
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
HPGD P15428 2/20 0.31
HKDC1 Q2TB90 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
ALDH1A1 P00352 2/20 0.31
AURKA O14965 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
SCHEMBL831161 0.92 S1PR3 (0.32) MOGAT2CYP2C9SCN9ASCN5ASCN1A
SCHEMBL831314 0.90 SCN9A (0.36) MOGAT2CYP2C9SCN9ASCN5AMGAT2
SCHEMBL833395 0.90 CDK2 (0.33) MOGAT2CYP2C9CDK2LMNAMEN1
SCHEMBL831390 0.89 CYP2C8 (0.39) MOGAT2CYP2C9SCN9ASCN5AMGAT2
SCHEMBL832279 0.86 PTGDR2 (0.36) MOGAT2CYP2C9SCN9ASCN5AMGAT2
SCHEMBL8860573 0.86 CYP2C9 (0.31) MOGAT2CYP2C9SCN9ASCN5ASCN1A
SCHEMBL12665276 0.86 CYP2C8 (0.38) CDK2LMNAMEN1KMT2AHPGD
SCHEMBL12665810 0.86 LMNA (0.35) CDK2LMNAMEN1KMT2AHPGD
SCHEMBL13905361 0.83 CYP2C8 (0.38) MOGAT2CYP2C9SCN9ASCN5AMGAT2
SCHEMBL831856 0.83 OPRM1 (0.38) LMNAMEN1KMT2AL3MBTL1ALDH1A1

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 MOGAT2 2114/4885CYP2C9 2171/4885SCN9A 3807/4885

“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.