SCHEMBL832360

SCHEMBL832360

CCS(=O)(=O)NC(=O)c1c(-c2ccc[nH]c2=O)c2cc(Br)ccc2n1Cc1ccccc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C8 P10632 1/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 1/20 0.38
PARG Q86W56 2/20 0.36
KDM4E B2RXH2 3/20 0.35
TSHR P16473 3/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34
ECE1 P42892 1/20 0.34
MALT1 Q9UDY8 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
NPC1 O15118 1/20 0.33
DNMT1 P26358 1/20 0.33
GRIN1 Q05586 1/20 0.33

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
SCHEMBL831347 0.93 CYP2C8 (0.43) CYP2C8KMT2AMEN1PARGKDM4E
SCHEMBL832484 0.92 CYP2C8 (0.40) CYP2C8KMT2AMEN1PTGDR2HDAC1
SCHEMBL833144 0.91 CYP2C8 (0.45) CYP2C8KMT2AMEN1PARGKDM4E
SCHEMBL831530 0.90 CYP2C8 (0.43) CYP2C8KMT2AMEN1PARGKDM4E
SCHEMBL831655 0.90 CYP2C8 (0.46) CYP2C8KMT2AMEN1PARGLMNA
SCHEMBL830972 0.89 CYP2C8 (0.42) CYP2C8KMT2AMEN1PARGKDM4E
SCHEMBL12665291 0.85 CYP2C8 (0.54) CYP2C8KMT2AMEN1KDM4ETSHR
SCHEMBL831053 0.85 CYP2C8 (0.41) CYP2C8KMT2APTGDR2HDAC1HDAC8
SCHEMBL832068 0.85 CYP2C8 (0.41) CYP2C8KMT2APTGDR2
SCHEMBL3694358 0.84 KMT2A (0.48) CYP2C8KMT2AMEN1KDM4ETSHR

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 CYP2C8 847/4885KMT2A 321/4885MEN1 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.