SCHEMBL1277489

SCHEMBL1277489

COC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.70
XDH P47989 3/20 0.65
MAPT P10636 4/20 0.62
MAPK1 P28482 4/20 0.62
NPC1 O15118 2/20 0.62
RAB9A P51151 2/20 0.62
PLCG2 P16885 2/20 0.59
HRH4 Q9H3N8 1/20 0.59
THRB P10828 1/20 0.57
TDP1 Q9NUW8 2/20 0.54
FBP1 P09467 3/20 0.50
PYGL P06737 1/20 0.49
PYGM P11217 1/20 0.49
GLA P06280 1/20 0.45
GAA P10253 1/20 0.45
KDM4E B2RXH2 1/20 0.43
ABCC4 O15439 1/20 0.43
PLIN1 O60240 1/20 0.43
CACNA1F O60840 1/20 0.43
GMNN O75496 1/20 0.43

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
SCHEMBL28522107 0.86 APEX1 (0.70) APEX1XDHMAPTMAPK1NPC1
SCHEMBL1016404 0.85 APEX1 (0.65) APEX1XDHMAPTMAPK1NPC1
SCHEMBL5268675 0.82 APEX1 (1.00) APEX1MAPTMAPK1NPC1RAB9A
SCHEMBL1277212 0.82 APEX1 (1.00) APEX1MAPTMAPK1NPC1RAB9A
SCHEMBL1653052 0.81 APEX1 (0.76) APEX1XDHMAPTMAPK1NPC1
SCHEMBL6215530 0.81 APEX1 (0.70) APEX1XDHMAPTMAPK1NPC1
SCHEMBL1278010 0.81 XDH (0.65) APEX1XDHMAPTMAPK1NPC1
SCHEMBL1277485 0.80 XDH (0.63) APEX1XDHMAPTMAPK1NPC1
SCHEMBL1278087 0.80 XDH (0.63) APEX1XDHMAPTMAPK1NPC1
SCHEMBL1277966 0.80 XDH (0.74) APEX1XDHMAPTMAPK1NPC1

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-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-8309586-B2 Glucokinase activators and pharmaceutical compositions containing the same as an active ingredient LG LIFE SCIENCES LTD. (KR) 2012-11-13 US disclosed
US-8309586-B2 Glucokinase activators and pharmaceutical compositions containing the same as an active ingredient LG LIFE SCIENCES LTD. (KR) 2012-11-13 US disclosed
US-8309586-B2 Glucokinase activators and pharmaceutical compositions containing the same as an active ingredient LG LIFE SCIENCES LTD. (KR) 2012-11-13 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-20120088760-A1 GLUCOKINASE ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE INGREDIENT LG CHEM, LTD. (KR) 2012-04-12 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-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
US-20050032860-A1 CBI analogs of CC-1065 and the duocarmycins THE SCRIPPS RESEARCH INSTITUTE (US) 2005-02-10 US disclosed
US-20040002528-A1 CBI analogs of CC-1065 and the duocarmycins THE SCRIPPS RESEARCH INSTITUTE (US) 2004-01-01 US disclosed
US-6548530-B1 Antitumor drugs incorporate the 1,2,9,9a-tetrahydrocyclopropa(c)benz(e)indol-4-one (CBI) alkylation subunit; cytotoxic activity THE SCRIPPS RESEARCH INSTITUTE 2003-04-15 US disclosed
EP-0862553-A4 CBI ANALOGS OF CC-1065 AND THE DUOCARMYCINS SCRIPPS RESEARCH INST (US) 1999-02-03 EP disclosed
EP-0862553-A1 CBI ANALOGS OF CC-1065 AND THE DUOCARMYCINS The Scripps Research Institute (US) 1998-09-09 EP disclosed
WO-1997012862-A1 CBI ANALOGS OF CC-1065 AND THE DUOCARMYCINS THE SCRIPPS RESEARCH INSTITUTE (US) 1997-04-10 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-20120252798-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS IDO1, IDO2, TNF APEX1 2128/4885XDH 541/4885MAPT 1935/4885
US-20140024618-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS IDO1, IDO2, TNF APEX1 2128/4885XDH 541/4885MAPT 1935/4885
US-20120088760-A1 GLUCOKINASE ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE INGREDIENT GCKR, GCK, GALK1 APEX1 4581/4885XDH 523/4885MAPT 3254/4885
US-20040002528-A1 CBI analogs of CC-1065 and the duocarmycins DBI, DCK, CCNI APEX1 380/4885XDH 2714/4885MAPT 4468/4885
US-20050032860-A1 CBI analogs of CC-1065 and the duocarmycins DBI, CCNI, DCK APEX1 384/4885XDH 2658/4885MAPT 4315/4885

“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.