SCHEMBL830699

SCHEMBL830699

Cc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(=O)NS(=O)(=O)C1CC1)n2Cc1ccnc(N)c1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.36
PTGDR2 Q9Y5Y4 11/20 0.36
CYP2C8 P10632 1/20 0.35
PTGS1 P23219 2/20 0.34
CYP2C9 P11712 1/20 0.34
SLC6A4 P31645 1/20 0.34
CYP2C19 P33261 1/20 0.34
PTGS2 P35354 1/20 0.34
SCN2B O60939 1/20 0.33
SCN1B Q07699 1/20 0.33
SCN9A Q15858 1/20 0.33
AURKA O14965 2/20 0.33
TPX2 Q9ULW0 2/20 0.33
MEN1 O00255 2/20 0.33

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
SCHEMBL831744 0.91 KMT2A (0.38) KMT2APTGDR2CYP2C8SCN9AAURKA
SCHEMBL830909 0.91 RET (0.34) CYP2C8SCN2BSCN1BSCN9A
SCHEMBL832006 0.86 CYP2C8 (0.39) KMT2APTGDR2CYP2C8PTGS1CYP2C9
SCHEMBL12624430 0.84 CYP2C8 (0.47) KMT2APTGDR2CYP2C8PTGS1CYP2C9
SCHEMBL830779 0.84 CYP2C8 (0.41) KMT2APTGDR2CYP2C8SCN2BSCN1B
SCHEMBL831835 0.83 CACNB4 (0.38) KMT2ACYP2C19MEN1
SCHEMBL10256456 0.83 CYP2C8 (0.42) KMT2APTGDR2CYP2C8CYP2C9SCN2B
SCHEMBL831420 0.83 CYP2C8 (0.40) PTGDR2CYP2C8CYP2C9SCN2BSCN1B
SCHEMBL831130 0.83 KMT2A (0.39) KMT2APTGDR2CYP2C8PTGS1PTGS2
SCHEMBL831674 0.83 CYP2C8 (0.43) KMT2APTGDR2CYP2C8CYP2C9SCN2B

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 4 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-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
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 KMT2A 321/4885PTGDR2 1609/4885CYP2C8 847/4885

“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.