SCHEMBL1478086

SCHEMBL1478086

O=C1CN=Cc2ncc3ccccc3c21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
GPR3 P46089 1/20 0.39
ALDH1A1 P00352 4/20 0.36
HSD17B10 Q99714 2/20 0.36
PARP1 P09874 1/20 0.36
PRKCI P41743 1/20 0.36
PDE4B Q07343 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
AKT1 P31749 1/20 0.33
CES1 P23141 2/20 0.33
NISCH Q9Y2I1 1/20 0.33
ALOX5 P09917 1/20 0.32
DNMT1 P26358 1/20 0.32
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
NPC1 O15118 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
SCHEMBL8322283 0.77 KDM4E (0.42) KDM4EGPR3ALDH1A1HSD17B10PARP1
SCHEMBL378548 0.77 KDM4E (0.39) KDM4EGPR3ALDH1A1HSD17B10PARP1
SCHEMBL28262113 0.77 KDM4E (0.39) KDM4EGPR3ALDH1A1HSD17B10PARP1
SCHEMBL27619538 0.75 KDM4E (0.38) KDM4EGPR3ALDH1A1HSD17B10PARP1
SCHEMBL27619154 0.75 KDM4E (0.38) KDM4EGPR3ALDH1A1HSD17B10PARP1
SCHEMBL31277019 0.71 ALDH1A1 (0.38) KDM4EGPR3ALDH1A1HSD17B10PARP1
SCHEMBL27971102 0.68 ALDH1A1 (0.33) KDM4EGPR3ALDH1A1HSD17B10PARP1
SCHEMBL1537127 0.67 KDM4E (0.39) KDM4EGPR3AKT1LMNANPC1
SCHEMBL852241 0.67 KDM4E (0.39) KDM4EGPR3ALDH1A1HSD17B10PARP1
SCHEMBL2461072 0.67 KDM4E (0.43) KDM4EGPR3ALDH1A1HSD17B10PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7915280-B2 Compounds and their uses EISAI INC. (US) 2011-03-29 US disclosed
US-RE41150-E1 Poly(adenosine 5'-diphospho-ribose) polymerase (PARP) inhibitors; compounds based on thieno(4,3,2-ef)(2)benzazepin-6-one EISAI CORPORATION OF NORTH AMERICA (US) 2010-02-23 US disclosed
US-7235557-B2 Compounds and their uses MGI GP, INC. (US) 2007-06-26 US disclosed
US-20060142266-A1 Compounds and their uses MGI GP, INC. (US) 2006-06-29 US disclosed
US-20060003987-A1 Compounds and their uses GUILFORD PHARMACEUTICALS, INC. (US) 2006-01-05 US disclosed
US-20050148575-A1 (Di)Azepino[5,4,3-cd]benzothiophenes; poly(ADP-ribose) polymerase (PARP) and glycohydrolase (PARG) inhibitor; antiinflammatory; protects cells, tissue and organs against the ill-effects of reactive free radicals and nitric oxide, and damage following focal ischemia and reperfusion injury GUILFORD PHARMACEUTICALS INC. (US) 2005-07-07 US disclosed
US-6887996-B2 Poly(adenosine 5'-diphospho-ribose) polymerase (PARP) inhibitors; compounds based on thieno(4,3,2-ef)(2)benzazepin-6-one GUILFORD PHARMACEUTICALS INC. (US) 2005-05-03 US disclosed
EP-1339402-A2 BENZOAZEPINE AND BENZODIAZEPINE DERIVATIVES AND THEIR USE AS PARP INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 2003-09-03 EP disclosed
US-20030022883-A1 Compounds and their use EISAI INC. 2003-01-30 US disclosed
WO-2002044183-A2 BENZOAZEPINE AND BENZODIAZEPINE DERIVATIVES AND THEIR USE AS PARP INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 2002-06-06 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 (4 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-20030022883-A1 Compounds and their use PARP1, PARP2, PARP3 KDM4E 1317/4885GPR3 2707/4885ALDH1A1 1256/4885
US-20060003987-A1 Compounds and their uses PARP1, PARP2, PARP3 KDM4E 1628/4885GPR3 3326/4885ALDH1A1 1283/4885
US-20050148575-A1 (Di)Azepino[5,4,3-cd]benzothiophenes; poly(ADP-ribose) polymerase (PARP) and glycohydrolase (PARG) inhibitor; antiinflammatory; protects cells, tissue and organs against the ill-effects of reactive free radicals and nitric oxide, and damage following focal ischemia and reperfusion injury PARP1, PARP11, PARP15 KDM4E 1317/4885GPR3 1498/4885ALDH1A1 360/4885
US-20060142266-A1 Compounds and their uses PARP1, PARP2, PARP3 KDM4E 1628/4885GPR3 3326/4885ALDH1A1 1283/4885

“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.