SCHEMBL831744

SCHEMBL831744

Nc1cc(Cn2c(C(=O)NS(=O)(=O)C3CC3)c(-c3ccc[nH]c3=O)c3cc(Cl)ccc32)ccn1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.38
TRPM4 Q8TD43 1/20 0.36
AURKA O14965 2/20 0.36
TPX2 Q9ULW0 2/20 0.36
RCE1 Q9Y256 1/20 0.35
CYP2C8 P10632 1/20 0.35
KCNH2 Q12809 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
SCN9A Q15858 3/20 0.33
KRAS P01116 1/20 0.33
SCN4A P35499 1/20 0.32
SCN5A Q14524 1/20 0.32
MEN1 O00255 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
HPGD P15428 1/20 0.32
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
SCHEMBL830699 0.91 KMT2A (0.36) KMT2AAURKATPX2CYP2C8SCN9A
SCHEMBL10255123 0.90 KMT2A (0.41) KMT2ARCE1CYP2C8KCNH2HRH3
SCHEMBL831545 0.90 KMT2A (0.40) KMT2ARCE1CYP2C8MEN1KDM4E
SCHEMBL830909 0.89 RET (0.34) CYP2C8SCN9ASCN5A
SCHEMBL831718 0.89 KMT2A (0.40) KMT2ARCE1CYP2C8MEN1KDM4E
SCHEMBL830953 0.88 KMT2A (0.39) KMT2ARCE1CYP2C8MEN1KDM4E
SCHEMBL832375 0.88 KMT2A (0.42) KMT2ARCE1CYP2C8PTGDR2
SCHEMBL831134 0.88 KMT2A (0.44) KMT2ARCE1CYP2C8MEN1PTGDR2
SCHEMBL832230 0.87 KMT2A (0.39) KMT2ARCE1CYP2C8MEN1
SCHEMBL832479 0.87 KMT2A (0.38) KMT2ARCE1CYP2C8

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 321/4885TRPM4 3299/4885AURKA 1855/4885

“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.