SCHEMBL1277933

SCHEMBL1277933

O=C(O)CC1CSC(c2cc3cccc(NC4CCCC4)c3[nH]2)=N1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.39
ATAD2 Q6PL18 3/20 0.39
GABRA1 P14867 3/20 0.35
GABRR1 P24046 3/20 0.35
GABRA5 P31644 3/20 0.35
GABRB2 P47870 3/20 0.35
GABRA4 P48169 3/20 0.35
SLC6A12 P48065 1/20 0.35
SLC6A13 Q9NSD5 1/20 0.35
FFAR4 Q5NUL3 1/20 0.34
PIM1 P11309 2/20 0.33
PIM2 Q9P1W9 2/20 0.33
MERTK Q12866 1/20 0.32
MAPK8 P45983 1/20 0.32
HCAR3 P49019 1/20 0.32
PLA2G1B P04054 1/20 0.32
ATG4B Q9Y4P1 1/20 0.32
CDC7 O00311 1/20 0.31
DBF4 Q9UBU7 1/20 0.31
CHEK1 O14757 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
SCHEMBL1277945 1.00 BRD4 (0.39) BRD4ATAD2GABRA1GABRR1GABRA5
SCHEMBL1277928 1.00 BRD4 (0.39) BRD4ATAD2GABRA1GABRR1GABRA5
SCHEMBL1277725 0.92 BRD4 (0.37) BRD4ATAD2GABRA1GABRR1GABRA5
SCHEMBL1278198 0.92 BRD4 (0.37) BRD4ATAD2GABRA1GABRR1GABRA5
SCHEMBL1277730 0.92 BRD4 (0.37) BRD4ATAD2GABRA1GABRR1GABRA5
SCHEMBL1277735 0.90 BRD4 (0.37) BRD4ATAD2FFAR4PIM1PIM2
SCHEMBL1277733 0.90 BRD4 (0.37) BRD4ATAD2FFAR4PIM1PIM2
SCHEMBL1277990 0.90 BRD4 (0.39) BRD4ATAD2PIM1PIM2PLA2G7
SCHEMBL1277986 0.90 BRD4 (0.39) BRD4ATAD2PIM1PIM2PLA2G7
SCHEMBL3025070 0.88 BRD4 (0.36) BRD4ATAD2PIM1PIM2MERTK

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 27 patents — showing the first 20. 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-20100267708-A1 GLUCOKINASE ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE INGREDIENT LG LIFE SCIENCES LTD. (KR) 2010-10-21 US claimed
EP-2220081-A2 GLUCOKINASE ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE INGREDIENT LG Life Sciences Ltd. (KR) 2010-08-25 EP 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-2009082152-A2 GLUCOKINASE ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE INGREDIENT LG LIFE SCIENCES LTD. (KR) 2009-07-02 WO claimed
WO-2009025477-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG LIFE SCIENCES LTD. (KR) 2009-02-26 WO claimed
US-10322135-B2 Pharmaceutical composition comprising indole compound LG CHEM, LTD. (KR) 2019-06-18 US disclosed
US-20170165272-A1 PHARMACEUTICAL COMPOSITION COMPRISING INDOLE COMPOUND LG LIFE SCIENCES LTD. (KR) 2017-06-15 US disclosed
US-8889691-B2 Indole compounds as an inhibitor of cellular necrosis LG LIFE SCIENCES LTD. (KR) 2014-11-18 US disclosed
CN-101801965-B Indole compounds as inhibitors of cellular necrosis LG LIFE SCIENCES LTD 2014-07-30 CN 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
WO-2011052950-A2 PHARMACEUTICAL COMPOSITION COMPRISING INDOLE COMPOUND LG LIFE SCIENCES LTD. (KR) 2011-05-05 WO disclosed
US-20100267708-A1 GLUCOKINASE ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE INGREDIENT LG LIFE SCIENCES LTD. (KR) 2010-10-21 US disclosed
EP-2220081-A2 GLUCOKINASE ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE INGREDIENT LG Life Sciences Ltd. (KR) 2010-08-25 EP 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-2009082152-A2 GLUCOKINASE ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE INGREDIENT LG LIFE SCIENCES LTD. (KR) 2009-07-02 WO 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 (5 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-20140024618-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS IDO1, IDO2, TNF BRD4 2348/4885ATAD2 2935/4885GABRA1 4804/4885
US-10322135-B2 Pharmaceutical composition comprising indole compound IDO1, IDO2, AIFM1 BRD4 2238/4885ATAD2 2356/4885GABRA1 4180/4885
US-20170165272-A1 PHARMACEUTICAL COMPOSITION COMPRISING INDOLE COMPOUND TFAM, IDO1, AIFM1 BRD4 1885/4885ATAD2 2287/4885GABRA1 4179/4885
US-20100210647-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS IDO1, IDO2, TNF BRD4 2348/4885ATAD2 2935/4885GABRA1 4804/4885
US-20100267708-A1 GLUCOKINASE ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE INGREDIENT GCK, GCKR, HK1 BRD4 3674/4885ATAD2 2052/4885GABRA1 3558/4885

“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.