SCHEMBL3034520

SCHEMBL3034520

CC(CC(N)=O)C1CSC(c2cc3cccc(NC4CCCC4)c3[nH]2)=N1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.37
ATAD2 Q6PL18 3/20 0.37
MAPT P10636 8/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.33
KMT2A Q03164 2/20 0.33
PSMD14 O00487 1/20 0.33
MEN1 O00255 1/20 0.33
PARP1 P09874 3/20 0.33
MAPK1 P28482 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
SCHEMBL15005612 0.86 BRD4 (0.37) BRD4ATAD2MAPTTDP1L3MBTL1
SCHEMBL15005763 0.86 BRD4 (0.37) BRD4ATAD2MAPTTDP1L3MBTL1
SCHEMBL3020645 0.85 BRD4 (0.39) BRD4ATAD2
SCHEMBL3020648 0.85 BRD4 (0.39) BRD4ATAD2
SCHEMBL3026728 0.84 BRD4 (0.38) BRD4ATAD2KMT2AMEN1
SCHEMBL3026724 0.84 BRD4 (0.38) BRD4ATAD2KMT2AMEN1
SCHEMBL13387485 0.83 BRD4 (0.38) BRD4ATAD2MAPT
SCHEMBL3034519 0.81 BRD4 (0.36) BRD4ATAD2MAPTTDP1
SCHEMBL3027151 0.80 BRD4 (0.36) BRD4ATAD2
SCHEMBL3027156 0.80 BRD4 (0.36) BRD4ATAD2

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8222414-B2 Indole compounds as an inhibitor of cellular necrosis LG LIFE SCIENCES LTD. (KR) 2012-07-17 US claimed
US-20100210647-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG LIFE SCIENCES LTD. (KR) 2010-08-19 US claimed
US-8889691-B2 Indole compounds as an inhibitor of cellular necrosis LG LIFE SCIENCES LTD. (KR) 2014-11-18 US disclosed
US-20140024618-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG LIFE SCIENCES LTD. (KR) 2014-01-23 US disclosed
US-8569307-B2 Indole compounds as an inhibitor of cellular necrosis LG LIFE SCIENCES LTD. (KR) 2013-10-29 US disclosed
EP-2178869-B1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG LIFE SCIENCES LTD (KR) 2013-06-12 EP disclosed
US-20120252798-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG CHEM, LTD. (KR) 2012-10-04 US disclosed
US-8222414-B2 Indole compounds as an inhibitor of cellular necrosis LG LIFE SCIENCES LTD. (KR) 2012-07-17 US disclosed
US-20100210647-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG LIFE SCIENCES LTD. (KR) 2010-08-19 US disclosed
EP-2178869-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG Life Sciences Ltd. (KR) 2010-04-28 EP disclosed
WO-2009025477-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG LIFE SCIENCES LTD. (KR) 2009-02-26 WO 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 (3 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-20120252798-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS IDO1, IDO2, TNF BRD4 2348/4885ATAD2 2935/4885MAPT 1935/4885
US-20140024618-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS IDO1, IDO2, TNF BRD4 2348/4885ATAD2 2935/4885MAPT 1935/4885
US-20100210647-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS IDO1, IDO2, TNF BRD4 2348/4885ATAD2 2935/4885MAPT 1935/4885

“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.