SCHEMBL3020742

SCHEMBL3020742

CCOc1cc(NC2CCCC2)c2[nH]c(C3=N[C@@H](CC(=O)O)CS3)cc2c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.33
RAB9A P51151 5/20 0.33
NPC1 O15118 4/20 0.33
ALDH1A1 P00352 3/20 0.33
ALOX15 P16050 2/20 0.33
KDM4E B2RXH2 2/20 0.33
PKM P14618 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HPGD P15428 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GABRA1 P14867 3/20 0.32
GABRR1 P24046 3/20 0.32
GABRA5 P31644 3/20 0.32
GABRB2 P47870 3/20 0.32
GABRA4 P48169 3/20 0.32
SLC6A12 P48065 1/20 0.32
SLC6A13 Q9NSD5 1/20 0.32
ALOX5 P09917 1/20 0.32
MAPKAPK2 P49137 1/20 0.31
NR2F2 P24468 2/20 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
SCHEMBL1277492 1.00 MAPT (0.33) MAPTRAB9ANPC1ALDH1A1ALOX15
SCHEMBL1277487 1.00 MAPT (0.33) MAPTRAB9ANPC1ALDH1A1ALOX15
SCHEMBL1277800 0.93 HSD11B1 (0.32) ALDH1A1ALOX15KDM4ETDP1GABRA1
SCHEMBL1277804 0.93 HSD11B1 (0.32) ALDH1A1ALOX15KDM4ETDP1GABRA1
SCHEMBL3020975 0.92 MAPT (0.33) MAPTRAB9ANPC1ALDH1A1ALOX15
SCHEMBL3020969 0.92 MAPT (0.33) MAPTRAB9ANPC1ALDH1A1ALOX15
SCHEMBL1277946 0.91 ALOX5 (0.32) MAPTRAB9ANPC1ALDH1A1ALOX15
SCHEMBL1277948 0.91 ALOX5 (0.32) MAPTRAB9ANPC1ALDH1A1ALOX15
SCHEMBL1277968 0.91 GABRA1 (0.33) MAPTALDH1A1ALOX15KDM4EHPGD
SCHEMBL1277964 0.91 GABRA1 (0.33) MAPTALDH1A1ALOX15KDM4EHPGD

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2230238-B1 INDOLE AND INDAZOLE DERIVATIVES HAVING A CELL-, TISSUE- AND ORGAN-PRESERVING EFFECT LG LIFE SCIENCES LTD (KR) 2013-12-11 EP claimed
EP-2178869-B1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG LIFE SCIENCES LTD (KR) 2013-06-12 EP claimed
US-8349885-B2 Indole and indazole derivatives having a cell-, tissue- and organ-preserving effect LG LIFE SCIENCES LTD. (KR) 2013-01-08 US claimed
US-20120270203-A1 INDOLE AND INDAZOLE DERIVATIVES HAVING A CELL-, TISSUE- AND ORGAN-PRESERVING EFFECT LG CHEM, LTD. (KR) 2012-10-25 US 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-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
EP-2230238-B1 INDOLE AND INDAZOLE DERIVATIVES HAVING A CELL-, TISSUE- AND ORGAN-PRESERVING EFFECT LG LIFE SCIENCES LTD (KR) 2013-12-11 EP 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-8349885-B2 Indole and indazole derivatives having a cell-, tissue- and organ-preserving effect LG LIFE SCIENCES LTD. (KR) 2013-01-08 US disclosed
EP-2230238-A2 INDOLE AND INDAZOLE DERIVATIVES HAVING A CELL-, TISSUE- AND ORGAN-PRESERVING EFFECT LG Life Sciences Ltd. (KR) 2010-09-22 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-2009088192-A9 INDOLE AND INDAZOLE DERIVATIVES HAVING A CELL-, TISSUE- AND ORGAN-PRESERVING EFFECT 주식회사 엘지생명과학 (KR) 2009-11-19 WO disclosed
WO-2009088192-A2 INDOLE AND INDAZOLE DERIVATIVES HAVING A CELL-, TISSUE- AND ORGAN-PRESERVING EFFECT LG LIFE SCIENCES LTD. (KR) 2009-07-16 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 (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-20140024618-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS IDO1, IDO2, TNF MAPT 1935/4885RAB9A 3354/4885NPC1 967/4885
US-20120270203-A1 INDOLE AND INDAZOLE DERIVATIVES HAVING A CELL-, TISSUE- AND ORGAN-PRESERVING EFFECT IDO1, IDO2, INMT MAPT 1965/4885RAB9A 3325/4885NPC1 2924/4885
US-20100210647-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS IDO1, IDO2, TNF MAPT 1935/4885RAB9A 3354/4885NPC1 967/4885

“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.