SCHEMBL1277804

SCHEMBL1277804

CCCOc1cc(NC2CCCC2)c2[nH]c(C3=NC(CC(=O)O)CS3)cc2c1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.32
TRIM33 Q9UPN9 3/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
GABRA1 P14867 3/20 0.31
GABRR1 P24046 3/20 0.31
GABRA5 P31644 3/20 0.31
GABRB2 P47870 3/20 0.31
GABRA4 P48169 3/20 0.31
SLC6A12 P48065 1/20 0.31
SLC6A13 Q9NSD5 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
ALOX15 P16050 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
SCHEMBL1277800 1.00 HSD11B1 (0.32) HSD11B1TRIM33CYP1A2CYP2D6CYP2C19
SCHEMBL1277492 0.93 MAPT (0.33) GABRA1GABRR1GABRA5GABRB2GABRA4
SCHEMBL3020742 0.93 MAPT (0.33) GABRA1GABRR1GABRA5GABRB2GABRA4
SCHEMBL1277487 0.93 MAPT (0.33) GABRA1GABRR1GABRA5GABRB2GABRA4
SCHEMBL1277964 0.90 GABRA1 (0.33) GABRA1GABRR1GABRA5GABRB2GABRA4
SCHEMBL1277968 0.90 GABRA1 (0.33) GABRA1GABRR1GABRA5GABRB2GABRA4
SCHEMBL1277559 0.85 LMNA (0.35) GABRA1GABRR1GABRA5GABRB2GABRA4
SCHEMBL3020975 0.85 MAPT (0.33) KDM4EALDH1A1TDP1ALOX15
SCHEMBL3020969 0.85 MAPT (0.33) KDM4EALDH1A1TDP1ALOX15
SCHEMBL1277562 0.85 LMNA (0.35) GABRA1GABRR1GABRA5GABRB2GABRA4

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 24 patents — showing the first 20. 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-8309586-B2 Glucokinase activators and pharmaceutical compositions containing the same as an active ingredient LG LIFE SCIENCES LTD. (KR) 2012-11-13 US claimed
US-8222414-B2 Indole compounds as an inhibitor of cellular necrosis LG LIFE SCIENCES LTD. (KR) 2012-07-17 US claimed
US-20120088760-A1 GLUCOKINASE ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE INGREDIENT LG CHEM, LTD. (KR) 2012-04-12 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-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
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 (4 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 HSD11B1 707/4885TRIM33 3108/4885CYP1A2 2170/4885
US-20120088760-A1 GLUCOKINASE ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE INGREDIENT GCKR, GCK, GALK1 HSD11B1 1406/4885TRIM33 4755/4885CYP1A2 2181/4885
US-20100210647-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS IDO1, IDO2, TNF HSD11B1 707/4885TRIM33 3108/4885CYP1A2 2170/4885
US-20100267708-A1 GLUCOKINASE ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE INGREDIENT GCK, GCKR, HK1 HSD11B1 1669/4885TRIM33 4638/4885CYP1A2 1657/4885

“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.