SCHEMBL1899114

SCHEMBL1899114

Cc1cc(NC2CCCC2)c2[nH]c(C3=NC(CC(=O)O)CO3)cc2c1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 1/20 0.32
HDAC8 Q9BY41 1/20 0.31
ALOX15 P16050 1/20 0.31
TYK2 P29597 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
SCHEMBL1899111 1.00 MERTK (0.32) MERTKHDAC8ALOX15TYK2
SCHEMBL3029238 0.93 EZH2 (0.33)
SCHEMBL3029233 0.93 EZH2 (0.33)
SCHEMBL3019890 0.89 PLA2G1B (0.33) MERTK
SCHEMBL3019896 0.89 PLA2G1B (0.33) MERTK
SCHEMBL1277931 0.82 GABRA1 (0.34) HDAC8ALOX15TYK2
SCHEMBL1277926 0.82 GABRA1 (0.34) HDAC8ALOX15TYK2
SCHEMBL1278167 0.82 GABRA1 (0.34) HDAC8ALOX15TYK2
SCHEMBL1277696 0.80 GABRA1 (0.34) TYK2
SCHEMBL1277692 0.80 GABRA1 (0.34) TYK2

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 17 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-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
US-8349885-B2 Indole and indazole derivatives having a cell-, tissue- and organ-preserving effect LG LIFE SCIENCES LTD. (KR) 2013-01-08 US disclosed
US-20120252798-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG CHEM, LTD. (KR) 2012-10-04 US disclosed
EP-2493469-A2 PHARMACEUTICAL COMPOSITION COMPRISING INDOLE COMPOUND LG Life Sciences Ltd (KR) 2012-09-05 EP disclosed
US-20120214804-A1 PHARMACEUTICAL COMPOSITION COMPRISING INDOLE COMPOUND LG CHEM, LTD. (KR) 2012-08-23 US disclosed
US-8222414-B2 Indole compounds as an inhibitor of cellular necrosis LG LIFE SCIENCES LTD. (KR) 2012-07-17 US disclosed
WO-2011052950-A2 PHARMACEUTICAL COMPOSITION COMPRISING INDOLE COMPOUND LG LIFE SCIENCES LTD. (KR) 2011-05-05 WO disclosed
US-20100210647-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG LIFE SCIENCES LTD. (KR) 2010-08-19 US 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-20120252798-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS IDO1, IDO2, TNF MERTK 4077/4885HDAC8 2475/4885ALOX15 107/4885
US-20140024618-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS IDO1, IDO2, TNF MERTK 4077/4885HDAC8 2475/4885ALOX15 107/4885
US-20120214804-A1 PHARMACEUTICAL COMPOSITION COMPRISING INDOLE COMPOUND IDO1, IDO2, AIFM1 MERTK 4085/4885HDAC8 1372/4885ALOX15 248/4885
US-10322135-B2 Pharmaceutical composition comprising indole compound IDO1, IDO2, AIFM1 MERTK 4085/4885HDAC8 1372/4885ALOX15 248/4885
US-20170165272-A1 PHARMACEUTICAL COMPOSITION COMPRISING INDOLE COMPOUND TFAM, IDO1, AIFM1 MERTK 4084/4885HDAC8 1173/4885ALOX15 248/4885
US-20100210647-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS IDO1, IDO2, TNF MERTK 4077/4885HDAC8 2475/4885ALOX15 107/4885

“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.