SCHEMBL3026728

SCHEMBL3026728

CCOC(=O)C(C)C1CSC(c2cc3cccc(NC4CCCC4)c3[nH]2)=N1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.38
ATAD2 Q6PL18 3/20 0.38
ALOX15 P16050 2/20 0.38
TSHR P16473 2/20 0.34
ADORA1 P30542 5/20 0.33
ADORA3 P0DMS8 4/20 0.33
ADORA2A P29274 4/20 0.33
ALDH1A1 P00352 1/20 0.33
ADORA2B P29275 1/20 0.33
RIPK1 Q13546 1/20 0.33
CASP3 P42574 1/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 1/20 0.31

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
SCHEMBL3026724 1.00 BRD4 (0.38) BRD4ATAD2ALOX15TSHRADORA1
SCHEMBL3020645 0.85 BRD4 (0.39) BRD4ATAD2RIPK1
SCHEMBL3020648 0.85 BRD4 (0.39) BRD4ATAD2RIPK1
SCHEMBL1277572 0.84 BRD4 (0.39) BRD4ATAD2ALOX15ADORA1ADORA3
SCHEMBL1277575 0.84 BRD4 (0.39) BRD4ATAD2ALOX15ADORA1ADORA3
SCHEMBL15005763 0.84 BRD4 (0.37) BRD4ATAD2ALOX15RIPK1
SCHEMBL3034520 0.84 BRD4 (0.37) BRD4ATAD2MEN1KMT2A
SCHEMBL15005612 0.84 BRD4 (0.37) BRD4ATAD2ALOX15RIPK1
SCHEMBL1278303 0.83 BRD4 (0.38) BRD4ATAD2ALOX15ADORA1ADORA3
SCHEMBL1278305 0.83 BRD4 (0.38) BRD4ATAD2ALOX15ADORA1ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2178869-B1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG LIFE SCIENCES LTD (KR) 2013-06-12 EP claimed
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
EP-2178869-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG Life Sciences Ltd. (KR) 2010-04-28 EP claimed
WO-2009025477-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG LIFE SCIENCES LTD. (KR) 2009-02-26 WO 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 2935/4885ALOX15 107/4885
US-20140024618-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS IDO1, IDO2, TNF BRD4 2348/4885ATAD2 2935/4885ALOX15 107/4885
US-20100210647-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS IDO1, IDO2, TNF BRD4 2348/4885ATAD2 2935/4885ALOX15 107/4885

“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.