SCHEMBL3020969

SCHEMBL3020969

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

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.33
RAB9A P51151 3/20 0.33
NPC1 O15118 2/20 0.33
PKM P14618 1/20 0.33
ALOX15 P16050 1/20 0.32
HPGD P15428 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALOX5 P09917 1/20 0.31
MAPK1 P28482 2/20 0.31
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
MAPKAPK2 P49137 1/20 0.30
NR2F2 P24468 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
TSHR P16473 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
SCHEMBL3020975 1.00 MAPT (0.33) MAPTRAB9ANPC1PKMALOX15
SCHEMBL3020742 0.92 MAPT (0.33) MAPTRAB9ANPC1PKMALOX15
SCHEMBL1277487 0.92 MAPT (0.33) MAPTRAB9ANPC1PKMALOX15
SCHEMBL1277492 0.92 MAPT (0.33) MAPTRAB9ANPC1PKMALOX15
SCHEMBL1277240 0.92 ALDH1A1 (0.35) MAPTALOX15HPGDSMN1; SMN2ALDH1A1
SCHEMBL1277236 0.92 ALDH1A1 (0.35) MAPTALOX15HPGDSMN1; SMN2ALDH1A1
SCHEMBL1277721 0.89 ALOX15 (0.36) MAPTRAB9ANPC1ALOX15HPGD
SCHEMBL1277724 0.89 ALOX15 (0.36) MAPTRAB9ANPC1ALOX15HPGD
SCHEMBL1277938 0.88 P2RX3 (0.33) MAPTALOX15HPGDALDH1A1
SCHEMBL1277940 0.88 P2RX3 (0.33) MAPTALOX15HPGDALDH1A1

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-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-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-2178869-B1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG LIFE SCIENCES LTD (KR) 2013-06-12 EP disclosed
US-20120252798-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG CHEM, LTD. (KR) 2012-10-04 US disclosed
US-8222414-B2 Indole compounds as an inhibitor of cellular necrosis LG LIFE SCIENCES LTD. (KR) 2012-07-17 US 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-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-20120252798-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS IDO1, IDO2, TNF MAPT 1935/4885RAB9A 3354/4885NPC1 967/4885
US-20140024618-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS IDO1, IDO2, TNF MAPT 1935/4885RAB9A 3354/4885NPC1 967/4885
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.