SCHEMBL50925

SCHEMBL50925

COC(=O)c1ccc(OC)c2[nH]cc(C(=O)O)c(=O)c12

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.58
HPGD P15428 2/20 0.58
ALDH1A1 P00352 1/20 0.58
CNR2 P34972 2/20 0.49
CNR1 P21554 1/20 0.49
CYP1A2 P05177 1/20 0.48
HSD17B10 Q99714 1/20 0.48
CSNK2A1 P68400 5/20 0.43
CSNK2A2 P19784 4/20 0.43
CSNK2B P67870 4/20 0.43
NR4A2 P43354 7/20 0.42
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CREBBP Q92793 1/20 0.38
PIM3 Q86V86 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
GSK3B P49841 1/20 0.38

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
SCHEMBL10839866 0.87 KDM4E (0.65) KDM4EHPGDALDH1A1CNR2CNR1
SCHEMBL62162 0.85 CLEC4M (0.52) KDM4EHPGDALDH1A1CNR2CNR1
SCHEMBL4308337 0.76 KDM4E (0.49) KDM4EHPGDALDH1A1HSD17B10MAPT
SCHEMBL4308193 0.76 CYP1A2 (0.50) KDM4EHPGDALDH1A1CYP1A2HSD17B10
SCHEMBL16597393 0.74 KDM4E (0.52) KDM4EHPGDALDH1A1CNR2CNR1
SCHEMBL7509122 0.73 KDM4E (1.00) KDM4EHPGDALDH1A1CNR2CYP1A2
SCHEMBL9829849 0.73 CLEC4M (0.56) KDM4EHPGDALDH1A1CNR2CNR1
Ammonia Solution, Strong SCHEMBL28187483 0.72 ALDH1A1 (0.97) KDM4EHPGDALDH1A1CNR2CYP1A2
Hydrochloric Acid SCHEMBL30353212 0.72 ALDH1A1 (0.97) KDM4EHPGDALDH1A1CNR2CYP1A2
Fluoride SCHEMBL5823412 0.71 ALDH1A1 (0.94) KDM4EHPGDALDH1A1CNR2CYP1A2

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 12 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
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-20050020595-A1 Compounds, methods and pharmaceutical compositions for inhibiting PARP EISAI INC. 2005-01-27 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 (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 KDM4E 2880/4885HPGD 498/4885ALDH1A1 326/4885
US-20080058325-A1 COMPOUNDS, METHODS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING PARP PARP1, PARP2, PARP3 KDM4E 1640/4885HPGD 291/4885ALDH1A1 865/4885
US-20050020595-A1 Compounds, methods and pharmaceutical compositions for inhibiting PARP PARP1, PARP2, PARP3 KDM4E 1571/4885HPGD 326/4885ALDH1A1 882/4885
US-20120309717-A1 COMPOUNDS, METHODS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING PARP PARP1, PARP2, PARP3 KDM4E 1571/4885HPGD 326/4885ALDH1A1 882/4885
US-20090088407-A1 Administering temozolomide; poly/adp-ribose/polymerase (PARP) inhibitors; melanoma, lymphoma, glioblastoma multiforme PARP1, PARP2, PARP11 KDM4E 297/4885HPGD 971/4885ALDH1A1 481/4885
US-20100256095-A1 COMPOUNDS, METHODS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING PARP PARP1, PARP2, PARP3 KDM4E 1571/4885HPGD 326/4885ALDH1A1 882/4885

“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.