SCHEMBL831864

SCHEMBL831864

Nc1cc(Cn2c(C(=O)NS(=O)(=O)c3cc(S(N)(=O)=O)c(Cl)cc3N)c(-c3ccc[nH]c3=O)c3cc(Cl)ccc32)ccn1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.36
CYP2C8 P10632 1/20 0.33
RCE1 Q9Y256 1/20 0.33
MCL1 Q07820 1/20 0.31
CCR2 P41597 1/20 0.30
MEN1 O00255 1/20 0.30
PDPK1 O15530 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
SCHEMBL831690 0.90 KMT2A (0.40) KMT2ACYP2C8RCE1MCL1CCR2
SCHEMBL10255123 0.90 KMT2A (0.41) KMT2ACYP2C8RCE1MCL1MEN1
SCHEMBL831706 0.88 KMT2A (0.39) KMT2ACYP2C8RCE1MCL1CCR2
SCHEMBL832554 0.87 KMT2A (0.37) KMT2ACYP2C8RCE1MCL1MEN1
SCHEMBL832303 0.87 PPARG (0.37) KMT2ACYP2C8RCE1MCL1MEN1
SCHEMBL832375 0.87 KMT2A (0.42) KMT2ACYP2C8RCE1MCL1CCR2
SCHEMBL832240 0.86 KMT2A (0.36) KMT2ACYP2C8RCE1CCR2MEN1
SCHEMBL832230 0.86 KMT2A (0.39) KMT2ACYP2C8RCE1MCL1MEN1
SCHEMBL832479 0.86 KMT2A (0.38) KMT2ACYP2C8RCE1MCL1
SCHEMBL831545 0.86 KMT2A (0.40) KMT2ACYP2C8RCE1MCL1CCR2

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 847/4885RCE1 1745/4885

“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.