SCHEMBL83409

SCHEMBL83409

COC(=O)c1cccc2nc(CN3CCCCC3)[nH]c(=O)c12

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MLLT1 Q03111 2/20 0.52
KDM4E B2RXH2 3/20 0.51
HTT P42858 2/20 0.48
HSD17B10 Q99714 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.46
GAA P10253 3/20 0.44
TSHR P16473 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CACNA1G O43497 2/20 0.43
CDC7 O00311 1/20 0.43
ROCK1 Q13464 1/20 0.43
DBF4 Q9UBU7 1/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL50840 0.99 MLLT1 (0.50) MLLT1KDM4EHTTHSD17B10ALDH1A1
SCHEMBL3518675 0.91 MLLT1 (0.44) MLLT1KDM4EHTTHSD17B10ALDH1A1
SCHEMBL3517823 0.90 MEN1 (0.43) MLLT1KDM4EHTTHSD17B10ALDH1A1
SCHEMBL3519685 0.89 SMN1; SMN2 (0.43) MLLT1HTTHSD17B10ALDH1A1GAA
SCHEMBL61188 0.81 TNKS2 (0.50) KDM4EHSD17B10ALDH1A1HPGDGAA
SCHEMBL51858 0.81 KDM4E (0.41) KDM4EHSD17B10ALDH1A1HPGDGAA
SCHEMBL3520029 0.80 KDM4E (0.45) KDM4EHSD17B10ALDH1A1HPGDGAA
SCHEMBL3515927 0.80 KDM4E (0.40) KDM4EHSD17B10ALDH1A1HPGDGAA
SCHEMBL50996 0.78 KMT2A (0.41) KDM4EHSD17B10ALDH1A1HPGDGAA
SCHEMBL14550565 0.78 GAA (0.45) KDM4EHSD17B10ALDH1A1HPGDGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120309717-A1 COMPOUNDS, METHODS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING PARP EISAI INC. (US) 2012-12-06 US disclosed
EP-1633362-B1 COMPOUNDS, METHODS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING PARP EISAI INC (US) 2012-09-26 EP disclosed
US-8129382-B2 Compounds, methods and pharmaceutical compositions for inhibiting PARP EISAI INC. (US) 2012-03-06 US disclosed
US-20100256095-A1 COMPOUNDS, METHODS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING PARP EISAI INC. (US) 2010-10-07 US disclosed
US-7750008-B2 Compounds, methods and pharmaceutical compositions for inhibiting PARP EISAI INC. (US) 2010-07-06 US disclosed
US-20090298837-A1 poly(ADP-ribose) polymerase (PARP) inhibitors such as 9-[(Hydrozinooxy)carbonyl]-2,7-dihydro-6-methoxy 3H-pyrido-[4,3,2-de]phthalazin-3-one, used for treating neuron tissue damage resulting from ischemia and reperfusion injury, depression, inflammatory bowel disorders, arthritis, gout, pain and sepsis EISAI CORPORATION OF NORTH AMERICA (US) 2009-12-03 US disclosed
US-7601719-B2 Administering temozolomide; poly/adp-ribose/polymerase (PARP) inhibitors; melanoma, lymphoma, glioblastoma multiforme EISAI CORPORATION OF NORTH AMERICA (US) 2009-10-13 US disclosed
US-20090088407-A1 Administering temozolomide; poly/adp-ribose/polymerase (PARP) inhibitors; melanoma, lymphoma, glioblastoma multiforme MGI GP, INC. (US) 2009-04-02 US disclosed
US-7456178-B2 Compounds, methods and pharmaceutical compositions for inhibiting PARP MGI GP, INC. (US) 2008-11-25 US disclosed
EP-1633362-A4 COMPOUNDS, METHODS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING PARP MGI GP INC (US) 2008-08-27 EP disclosed
US-20080058325-A1 COMPOUNDS, METHODS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING PARP MGI GP, INC. (US) 2008-03-06 US disclosed
US-7268138-B2 Compounds, methods and pharmaceutical compositions for inhibiting PARP MGI GP, INC. (US) 2007-09-11 US disclosed
EP-1633362-A2 COMPOUNDS, METHODS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING PARP MGI GP, Inc. (US) 2006-03-15 EP disclosed
US-20050020595-A1 Compounds, methods and pharmaceutical compositions for inhibiting PARP EISAI INC. 2005-01-27 US disclosed
WO-2004105700-A2 COMPOUNDS, METHODS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING PARP GUILDFORD PHARMACEUTICALS, INC. (US) 2004-12-09 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 (6 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-20090298837-A1 poly(ADP-ribose) polymerase (PARP) inhibitors such as 9-[(Hydrozinooxy)carbonyl]-2,7-dihydro-6-methoxy 3H-pyrido-[4,3,2-de]phthalazin-3-one, used for treating neuron tissue damage resulting from ischemia and reperfusion injury, depression, inflammatory bowel disorders, arthritis, gout, pain and sepsis PARP1, PARP2, NLRP3 MLLT1 1769/4885KDM4E 2880/4885HTT 234/4885
US-20080058325-A1 COMPOUNDS, METHODS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING PARP PARP1, PARP2, PARP3 MLLT1 856/4885KDM4E 1640/4885HTT 998/4885
US-20050020595-A1 Compounds, methods and pharmaceutical compositions for inhibiting PARP PARP1, PARP2, PARP3 MLLT1 798/4885KDM4E 1571/4885HTT 1028/4885
US-20120309717-A1 COMPOUNDS, METHODS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING PARP PARP1, PARP2, PARP3 MLLT1 798/4885KDM4E 1571/4885HTT 1028/4885
US-20090088407-A1 Administering temozolomide; poly/adp-ribose/polymerase (PARP) inhibitors; melanoma, lymphoma, glioblastoma multiforme PARP1, PARP2, PARP11 MLLT1 302/4885KDM4E 297/4885HTT 1534/4885
US-20100256095-A1 COMPOUNDS, METHODS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING PARP PARP1, PARP2, PARP3 MLLT1 798/4885KDM4E 1571/4885HTT 1028/4885

“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.