SCHEMBL50874

SCHEMBL50874

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

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 10/20 0.43
KDM4E B2RXH2 4/20 0.42
TSHR P16473 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TNKS O95271 1/20 0.41
BRD4 O60885 1/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.41
ATM Q13315 1/20 0.41
PIN1 Q13526 1/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL62141 0.85 ALDH1A1 (0.52) MMP13KDM4ETSHRL3MBTL1ALDH1A1
SCHEMBL51906 0.82 TYMS (0.49) ALDH1A1
SCHEMBL61188 0.80 TNKS2 (0.50) KDM4ETSHRL3MBTL1ALDH1A1LMNA
SCHEMBL51858 0.80 KDM4E (0.41) MMP13KDM4ETSHRL3MBTL1ALDH1A1
SCHEMBL3520029 0.79 KDM4E (0.45) KDM4ETSHRL3MBTL1ALDH1A1LMNA
SCHEMBL3515927 0.79 KDM4E (0.40) MMP13KDM4ETSHRL3MBTL1ALDH1A1
SCHEMBL8194247 0.79 PARP1 (0.64) MMP13BRD4PIN1
SCHEMBL50996 0.77 KMT2A (0.41) MMP13KDM4ETSHRL3MBTL1ALDH1A1
SCHEMBL8204538 0.76 PARP1 (0.60) MMP13TNKSPIN1
SCHEMBL50840 0.73 MLLT1 (0.50) KDM4ETSHRL3MBTL1ALDH1A1HPGD

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 17 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
US-7268138-B2 Compounds, methods and pharmaceutical compositions for inhibiting PARP MGI GP, INC. (US) 2007-09-11 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 MMP13 1378/4885KDM4E 2880/4885TSHR 4438/4885
US-20080058325-A1 COMPOUNDS, METHODS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING PARP PARP1, PARP2, PARP3 MMP13 390/4885KDM4E 1640/4885TSHR 4816/4885
US-20050020595-A1 Compounds, methods and pharmaceutical compositions for inhibiting PARP PARP1, PARP2, PARP3 MMP13 405/4885KDM4E 1571/4885TSHR 4812/4885
US-20120309717-A1 COMPOUNDS, METHODS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING PARP PARP1, PARP2, PARP3 MMP13 405/4885KDM4E 1571/4885TSHR 4812/4885
US-20090088407-A1 Administering temozolomide; poly/adp-ribose/polymerase (PARP) inhibitors; melanoma, lymphoma, glioblastoma multiforme PARP1, PARP2, PARP11 MMP13 298/4885KDM4E 297/4885TSHR 4277/4885
US-20100256095-A1 COMPOUNDS, METHODS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING PARP PARP1, PARP2, PARP3 MMP13 405/4885KDM4E 1571/4885TSHR 4812/4885

“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.