SCHEMBL3025267

SCHEMBL3025267

NCC1CSC(c2cc3cccc(NC4CCCC4)c3[nH]2)=N1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.39
ATAD2 Q6PL18 3/20 0.39
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
PIM1 P11309 2/20 0.33
PIM2 Q9P1W9 2/20 0.33
AOC1 P19801 3/20 0.32
AOC3 Q16853 3/20 0.32
PRKCZ Q05513 1/20 0.30
ABL1 P00519 1/20 0.30
RIN1 Q13671 1/20 0.30

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
SCHEMBL3025264 1.00 BRD4 (0.39) BRD4ATAD2KDM4EGAAMAPT
SCHEMBL1277660 0.89 BRD4 (0.43) BRD4ATAD2KDM4EGAAMAPT
SCHEMBL1277663 0.89 BRD4 (0.43) BRD4ATAD2KDM4EGAAMAPT
SCHEMBL2930374 0.89 BRD4 (0.41) BRD4ATAD2KDM4EGAAMAPT
SCHEMBL1277831 0.88 BRD4 (0.38) BRD4ATAD2KDM4EGAAMAPT
SCHEMBL1277833 0.88 BRD4 (0.38) BRD4ATAD2KDM4EGAAMAPT
SCHEMBL1278150 0.88 BRD4 (0.38) BRD4ATAD2PIM1PIM2
SCHEMBL1278146 0.88 BRD4 (0.38) BRD4ATAD2PIM1PIM2
SCHEMBL13632445 0.87 BRD4 (0.37) BRD4ATAD2MAPTPIM1PIM2
SCHEMBL1634392 0.87 BRD4 (0.39) BRD4ATAD2KDM4EGAAPIM1

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 13 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
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 2935/4885KDM4E 4065/4885
US-20140024618-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS IDO1, IDO2, TNF BRD4 2348/4885ATAD2 2935/4885KDM4E 4065/4885
US-20100210647-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS IDO1, IDO2, TNF BRD4 2348/4885ATAD2 2935/4885KDM4E 4065/4885

“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.