SCHEMBL832554

SCHEMBL832554

Nc1cc(Cn2c(C(=O)NS(=O)(=O)c3cc(F)ccc3F)c(-c3ccc[nH]c3=O)c3cc(Cl)ccc32)ccn1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.37
CYP2C8 P10632 1/20 0.37
MEN1 O00255 3/20 0.36
RCE1 Q9Y256 1/20 0.34
KCNH2 Q12809 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
PPARG P37231 3/20 0.33
SCN9A Q15858 2/20 0.32
PDPK1 O15530 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MCL1 Q07820 1/20 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
SCHEMBL832240 0.95 KMT2A (0.36) KMT2ACYP2C8MEN1RCE1KCNH2
SCHEMBL831706 0.94 KMT2A (0.39) KMT2ACYP2C8MEN1RCE1PPARG
SCHEMBL832541 0.93 CYP2C8 (0.40) KMT2ACYP2C8MEN1RCE1KCNH2
SCHEMBL832237 0.90 KMT2A (0.38) KMT2ACYP2C8MEN1RCE1KCNH2
SCHEMBL831596 0.90 KMT2A (0.38) KMT2ACYP2C8MEN1RCE1PPARG
SCHEMBL831690 0.90 KMT2A (0.40) KMT2ACYP2C8MEN1RCE1PPARG
SCHEMBL832375 0.89 KMT2A (0.42) KMT2ACYP2C8RCE1PPARGMCL1
SCHEMBL10255123 0.88 KMT2A (0.41) KMT2ACYP2C8MEN1RCE1KCNH2
SCHEMBL832479 0.88 KMT2A (0.38) KMT2ACYP2C8RCE1PPARGMCL1
SCHEMBL832230 0.88 KMT2A (0.39) KMT2ACYP2C8MEN1RCE1PPARG

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 321/4885CYP2C8 847/4885MEN1 2084/4885

“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.