SCHEMBL832009

SCHEMBL832009

CCNC(=O)Nc1cccc(Cn2c(C(=O)NS(C)(=O)=O)c(-c3ccc[nH]c3=O)c3cc(Cl)ccc32)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.39
KMT2A Q03164 5/20 0.38
PPARG P37231 1/20 0.38
RCE1 Q9Y256 1/20 0.37
MEN1 O00255 3/20 0.36
ALDH1A1 P00352 4/20 0.36
HPGD P15428 3/20 0.36
KDM4E B2RXH2 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP2C8 P10632 1/20 0.35
MCL1 Q07820 1/20 0.35
LMNA P02545 1/20 0.35
THRB P10828 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34
TP53 P04637 1/20 0.34
GAA P10253 2/20 0.34
MAPT P10636 2/20 0.34
HTT P42858 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL831833 0.91 PPARG (0.39) BRD4KMT2APPARGRCE1MEN1
SCHEMBL862541 0.90 KMT2A (0.42) KMT2APPARGRCE1MEN1ALDH1A1
SCHEMBL12673850 0.90 BRD4 (0.39) BRD4KMT2ARCE1MEN1ALDH1A1
SCHEMBL12674032 0.90 CYP2C8 (0.44) BRD4KMT2APPARGRCE1MEN1
SCHEMBL862140 0.89 KMT2A (0.47) KMT2APPARGRCE1MEN1ALDH1A1
SCHEMBL862067 0.87 KMT2A (0.50) KMT2APPARGRCE1MEN1ALDH1A1
SCHEMBL862277 0.86 KMT2A (0.45) KMT2APPARGRCE1MEN1ALDH1A1
SCHEMBL10256439 0.86 KMT2A (0.42) KMT2APPARGRCE1MEN1ALDH1A1
SCHEMBL862037 0.86 KMT2A (0.44) KMT2APPARGRCE1MEN1ALDH1A1
SCHEMBL862200 0.86 KMT2A (0.42) KMT2APPARGRCE1MEN1ALDH1A1

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 BRD4 65/4885KMT2A 321/4885PPARG 4093/4885

“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.