SCHEMBL3015334

SCHEMBL3015334

c1ccc(-c2cc3cccc(NC4CCOCC4)c3[nH]2)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.44
MAPK1 P28482 4/20 0.42
BRD4 O60885 3/20 0.41
ATAD2 Q6PL18 3/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PIM1 P11309 3/20 0.41
PIM2 Q9P1W9 2/20 0.41
CSF1R P07333 1/20 0.39
CDC7 O00311 2/20 0.39
DBF4 Q9UBU7 1/20 0.39
GSK3B P49841 2/20 0.39
CDK5 Q00535 2/20 0.39
CCNB2 O95067 1/20 0.39
CDK1 P06493 1/20 0.39

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
SCHEMBL3006354 0.90 GPR39 (0.45) MAPK1BRD4ATAD2KDM4ENPC1
SCHEMBL3418413 0.87 MAPK1 (0.40) MAPK1BRD4ATAD2PIM1PIM2
SCHEMBL2998551 0.86 LRRK2 (0.42) LRRK2MAPK1BRD4ATAD2KDM4E
SCHEMBL29205591 0.82 CSF1R (0.51) BRD4ATAD2NPC1RAB9APIM1
SCHEMBL3029525 0.77 BRD4 (0.41) MAPK1BRD4ATAD2PIM1PIM2
SCHEMBL27197260 0.76 LRRK2 (0.46) LRRK2MAPK1PIM1PIM2CSF1R
SCHEMBL3011369 0.76 BRD4 (0.41) MAPK1BRD4ATAD2PIM1PIM2
SCHEMBL3007498 0.75 ALDH1A1 (0.46) MAPK1BRD4ATAD2KDM4ENPC1
SCHEMBL3208271 0.75 BRD4 (0.39) MAPK1BRD4ATAD2PIM1PIM2
SCHEMBL3029211 0.75 BRD4 (0.41) LRRK2MAPK1BRD4ATAD2PIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-9000028-B2 Indole and indazole compounds as an inhibitor of cellular necrosis LG LIFE SCIENCES LTD. (KR) 2015-04-07 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 LRRK2 466/4885MAPK1 1650/4885BRD4 1492/4885
US-20100197673-A1 INDOLE AND INDAZOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS IDO1, IDO2, NFATC1 LRRK2 466/4885MAPK1 1650/4885BRD4 1492/4885

“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.