SCHEMBL831399

SCHEMBL831399

Nc1cc(Cn2c(C(=O)NS(=O)(=O)Cc3ccccc3C(=O)O)c(-c3ccc[nH]c3=O)c3cc(Cl)ccc32)ccn1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.39
CYP2C8 P10632 1/20 0.39
PLA2G4A P47712 2/20 0.36
RCE1 Q9Y256 1/20 0.35
PPARG P37231 4/20 0.35
POLB P06746 1/20 0.34
MEN1 O00255 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
ALOX12 P18054 1/20 0.33
RECQL P46063 1/20 0.33
BLM P54132 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PTGDR2 Q9Y5Y4 4/20 0.33
SERPINE1 P05121 2/20 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
SCHEMBL832335 0.93 KMT2A (0.37) KMT2ACYP2C8PLA2G4ARCE1PPARG
SCHEMBL831134 0.92 KMT2A (0.44) KMT2ACYP2C8PLA2G4ARCE1PPARG
SCHEMBL831718 0.89 KMT2A (0.40) KMT2ACYP2C8PLA2G4ARCE1MEN1
SCHEMBL832375 0.87 KMT2A (0.42) KMT2ACYP2C8RCE1PPARGPTGDR2
SCHEMBL10255123 0.87 KMT2A (0.41) KMT2ACYP2C8PLA2G4ARCE1PPARG
SCHEMBL831545 0.86 KMT2A (0.40) KMT2ACYP2C8RCE1PPARGMEN1
SCHEMBL831690 0.85 KMT2A (0.40) KMT2ACYP2C8RCE1PPARGPOLB
SCHEMBL12665091 0.85 KMT2A (0.47) KMT2ACYP2C8RCE1PPARGPOLB
SCHEMBL830953 0.85 KMT2A (0.39) KMT2ACYP2C8RCE1MEN1PTGDR2
SCHEMBL831706 0.84 KMT2A (0.39) KMT2ACYP2C8RCE1PPARGPOLB

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 847/4885PLA2G4A 2320/4885

“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.