SCHEMBL3008980

SCHEMBL3008980

O=C(O)Cc1ccc(-c2cc3cc(Cl)cc(NC4CCCC4)c3[nH]2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G1B P04054 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
CHEK1 O14757 3/20 0.41
KCNH2 Q12809 3/20 0.41
PPARG P37231 1/20 0.40
POLB P06746 1/20 0.39
FFAR1 O14842 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
PTGDR2 Q9Y5Y4 3/20 0.38
NR1H4 Q96RI1 1/20 0.38
PDE4B Q07343 3/20 0.37
PDE4D Q08499 3/20 0.37
MAPT P10636 2/20 0.36
PSMD14 O00487 1/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
TBK1 Q9UHD2 1/20 0.35

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
SCHEMBL3008821 0.91 TBK1 (0.42) PLA2G1BATG4BCHEK1KCNH2PPARG
SCHEMBL27808374 0.89 EPHX2 (0.42) PLA2G1BATG4BCHEK1KCNH2PPARG
SCHEMBL3000372 0.89 CHEK1 (0.39) PLA2G1BATG4BCHEK1KCNH2POLB
SCHEMBL2999191 0.87 HCAR3 (0.44) CHEK1KCNH2NR1H4RXRARXRB
SCHEMBL3007636 0.87 RIPK1 (0.40) CHEK1KCNH2POLBFFAR1NR1H4
SCHEMBL2995174 0.84 PPARG (0.50) CHEK1KCNH2PPARGMEN1ALDH1A1
SCHEMBL3005194 0.83 ADORA1 (0.45) CHEK1KCNH2MEN1ALDH1A1KMT2A
SCHEMBL3007638 0.82 ADORA1 (0.46) CHEK1KCNH2MEN1ALDH1A1KMT2A
SCHEMBL3013767 0.82 CHEK1 (0.41) CHEK1KCNH2MEN1ALDH1A1KMT2A
SCHEMBL27808406 0.81 FFAR1 (0.49) CHEK1KCNH2PPARGFFAR1ALDH1A1

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2178870-B1 INDOLE AND INDAZOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG CHEMICAL LTD (KR) 2018-09-19 EP claimed
US-20150038500-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING AND TREATING OPHTHALMIC DISORDERS CATHOLIC UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2015-02-05 US claimed
CN-101784543-B Indole and indazole compounds as inhibitors of cellular necrosis LG LIFE SCIENCES LTD 2013-10-16 CN claimed
US-8436038-B2 Indole and indazole compounds as an inhibitor of cellular necrosis LG LIFE SCIENCES LTD. (KR) 2013-05-07 US claimed
US-20100197673-A1 INDOLE AND INDAZOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG LIFE SCIENCES LTD (KR) 2010-08-05 US claimed
CN-101784543-A Indole and indazole compounds as inhibitors of cellular necrosis LG LIFE SCIENCES LTD 2010-07-21 CN claimed
EP-2178870-A1 INDOLE AND INDAZOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG Life Sciences Ltd. (KR) 2010-04-28 EP claimed
WO-2009025478-A1 INDOLE AND INDAZOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG LIFE SCIENCES LTD. (KR) 2009-02-26 WO claimed
EP-2178870-B1 INDOLE AND INDAZOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG CHEMICAL LTD (KR) 2018-09-19 EP disclosed
US-9000028-B2 Indole and indazole compounds as an inhibitor of cellular necrosis LG LIFE SCIENCES LTD. (KR) 2015-04-07 US disclosed
US-20150038500-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING AND TREATING OPHTHALMIC DISORDERS CATHOLIC UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2015-02-05 US disclosed
CN-101784543-B Indole and indazole compounds as inhibitors of cellular necrosis LG LIFE SCIENCES LTD 2013-10-16 CN disclosed
US-20130237532-A1 INDOLE AND INDAZOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG LIFE SCIENCES LTD. (KR) 2013-09-12 US disclosed
US-8436038-B2 Indole and indazole compounds as an inhibitor of cellular necrosis LG LIFE SCIENCES LTD. (KR) 2013-05-07 US disclosed
US-20100197673-A1 INDOLE AND INDAZOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG LIFE SCIENCES LTD (KR) 2010-08-05 US disclosed
CN-101784543-A Indole and indazole compounds as inhibitors of cellular necrosis LG LIFE SCIENCES LTD 2010-07-21 CN disclosed
EP-2178870-A1 INDOLE AND INDAZOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG Life Sciences Ltd. (KR) 2010-04-28 EP disclosed
WO-2009025478-A1 INDOLE AND INDAZOLE 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 (3 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-20130237532-A1 INDOLE AND INDAZOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS IDO1, IDO2, NFATC1 PLA2G1B 3287/4885ATG4B 798/4885CHEK1 1567/4885
US-20100197673-A1 INDOLE AND INDAZOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS IDO1, IDO2, NFATC1 PLA2G1B 3287/4885ATG4B 798/4885CHEK1 1567/4885
US-20150038500-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING AND TREATING OPHTHALMIC DISORDERS AQP1, EYA3, SF1 PLA2G1B 314/4885ATG4B 3290/4885CHEK1 3720/4885

“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.