SCHEMBL3000408

SCHEMBL3000408

O=C(O)[C@@H]1CCCN1C(=O)c1cc(NC2CCCC2)c2[nH]c(-c3ccccc3)cc2c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.41
ALDH1A1 P00352 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
CHEK1 O14757 1/20 0.39
KCNH2 Q12809 1/20 0.39
ITGB3 P05106 1/20 0.39
ITGB1 P05556 1/20 0.39
ITGAV P06756 1/20 0.39
ITGA5 P08648 1/20 0.39
ITGA4 P13612 1/20 0.39
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
TYMS P04818 1/20 0.38
ROCK2 O75116 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
DGAT1 O75907 2/20 0.37

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
SCHEMBL25332729 0.93 CA2 (0.39) CA2ALDH1A1L3MBTL1ITGB3ITGB1
SCHEMBL3011205 0.93 CA2 (0.39) CA2ALDH1A1L3MBTL1ITGB3ITGB1
SCHEMBL3722412 0.91 NPC1 (0.45) ALDH1A1CHEK1KCNH2ROCK2
SCHEMBL3013696 0.91 NPC1 (0.45) ALDH1A1CHEK1KCNH2ROCK2
SCHEMBL3001850 0.83 CASP3 (0.47) CHEK1KCNH2ADORA2AADORA1
SCHEMBL31022328 0.79 RIPK1 (0.50) ALDH1A1CHEK1KCNH2ADORA2AADORA1
SCHEMBL3007950 0.76 ALOX15 (0.56) TDP1CHEK1KCNH2ADORA2AADORA1
SCHEMBL31022169 0.76 ALDH1A1 (0.43) ALDH1A1CHEK1KCNH2ADORA2AADORA1
SCHEMBL2995174 0.74 PPARG (0.50) ALDH1A1CHEK1KCNH2ADORA2AADORA1
SCHEMBL3804774 0.74 ALOX15 (0.54) TDP1CHEK1KCNH2ADORA2AADORA1

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 14 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
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
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
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
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 CA2 1578/4885ALDH1A1 1971/4885TDP1 1245/4885
US-20100197673-A1 INDOLE AND INDAZOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS IDO1, IDO2, NFATC1 CA2 1578/4885ALDH1A1 1971/4885TDP1 1245/4885
US-20150038500-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING AND TREATING OPHTHALMIC DISORDERS AQP1, EYA3, SF1 CA2 66/4885ALDH1A1 627/4885TDP1 2125/4885

“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.