SCHEMBL1277931

SCHEMBL1277931

Cc1cc(NC2CCCC2)c2[nH]c(C3=NC(CC(=O)O)CS3)cc2c1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.34
GABRR1 P24046 3/20 0.34
GABRA5 P31644 3/20 0.34
GABRB2 P47870 3/20 0.34
GABRA4 P48169 3/20 0.34
SLC6A12 P48065 1/20 0.34
SLC6A13 Q9NSD5 1/20 0.34
HDAC8 Q9BY41 1/20 0.32
ALOX15 P16050 3/20 0.31
TYK2 P29597 1/20 0.31
TAS1R3 Q7RTX0 2/20 0.31
TAS1R1 Q7RTX1 2/20 0.31
TAS1R2 Q8TE23 2/20 0.31
GUSB P08236 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
SCHEMBL1278167 1.00 GABRA1 (0.34) GABRA1GABRR1GABRA5GABRB2GABRA4
SCHEMBL1277926 1.00 GABRA1 (0.34) GABRA1GABRR1GABRA5GABRB2GABRA4
SCHEMBL1277696 0.98 GABRA1 (0.34) GABRA1GABRR1GABRA5GABRB2GABRA4
SCHEMBL1277692 0.98 GABRA1 (0.34) GABRA1GABRR1GABRA5GABRB2GABRA4
SCHEMBL1277627 0.92 EZH2 (0.33) GABRA1GABRR1GABRA5GABRB2GABRA4
SCHEMBL1277621 0.92 EZH2 (0.33) GABRA1GABRR1GABRA5GABRB2GABRA4
SCHEMBL1277403 0.92 GABRA1 (0.33) GABRA1GABRR1GABRA5GABRB2GABRA4
SCHEMBL1277747 0.92 EZH2 (0.33) GABRA1GABRR1GABRA5GABRB2GABRA4
SCHEMBL1277432 0.92 GABRA1 (0.33) GABRA1GABRR1GABRA5GABRB2GABRA4
SCHEMBL1277938 0.91 P2RX3 (0.33) HDAC8ALOX15TYK2

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 29 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-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
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-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 (6 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 GABRA1 4804/4885GABRR1 4421/4885GABRA5 4544/4885
US-20120088760-A1 GLUCOKINASE ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE INGREDIENT GCKR, GCK, GALK1 GABRA1 3251/4885GABRR1 3291/4885GABRA5 3405/4885
US-10322135-B2 Pharmaceutical composition comprising indole compound IDO1, IDO2, AIFM1 GABRA1 4180/4885GABRR1 2331/4885GABRA5 3673/4885
US-20170165272-A1 PHARMACEUTICAL COMPOSITION COMPRISING INDOLE COMPOUND TFAM, IDO1, AIFM1 GABRA1 4179/4885GABRR1 2218/4885GABRA5 3896/4885
US-20100210647-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS IDO1, IDO2, TNF GABRA1 4804/4885GABRR1 4421/4885GABRA5 4544/4885
US-20100267708-A1 GLUCOKINASE ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE INGREDIENT GCK, GCKR, HK1 GABRA1 3558/4885GABRR1 4013/4885GABRA5 3363/4885

“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.