SCHEMBL51829

SCHEMBL51829

O=C(O)c1cc(=O)c2c(C(=O)O)ccc(Cl)c2[nH]1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.51
CYP2C9 P11712 2/20 0.51
HPGD P15428 2/20 0.51
BLM P54132 2/20 0.51
KMT2A Q03164 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
GRIN2D O15399 1/20 0.51
GRIN3B O60391 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
ALOX15 P16050 1/20 0.51
TSHR P16473 1/20 0.51
CYP2C19 P33261 1/20 0.51
GRIN1 Q05586 1/20 0.51
GRIN2A Q12879 1/20 0.51
GRIN2B Q13224 1/20 0.51
GRIN2C Q14957 1/20 0.51
GRIN3A Q8TCU5 1/20 0.51
GPR35 Q9HC97 2/20 0.50
ADRA2A P08913 1/20 0.45

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
SCHEMBL85508 0.86 NGFR (0.48) MEN1CYP2C9HPGDBLMKMT2A
SCHEMBL13606639 0.83 CDK1 (0.48) MEN1HPGDKMT2AALOX15ADRA2A
SCHEMBL50448 0.81 IDO1 (0.50) MEN1CYP2C9HPGDBLMKMT2A
SCHEMBL85505 0.81 ADRA2A (0.42) MEN1CYP2C9HPGDBLMKMT2A
SCHEMBL11883433 0.75 GPR35 (0.61) MEN1CYP2C9HPGDBLMKMT2A
SCHEMBL3959096 0.73 EIF4A3 (0.53) MEN1CYP2C9HPGDBLMKMT2A
SCHEMBL30310764 0.73 EIF4A3 (0.53) MEN1CYP2C9HPGDBLMKMT2A
SCHEMBL11636217 0.71 GPR35 (0.58) MEN1CYP2C9HPGDBLMKMT2A
SCHEMBL52094 0.71 HPGD (0.58) MEN1CYP2C9HPGDBLMKMT2A
SCHEMBL52168 0.71 CDK1 (0.47) MEN1HPGDKMT2AALOX15KDM4E

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 32 patents — showing the first 20. 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
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
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-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-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-7750008-B2 Compounds, methods and pharmaceutical compositions for inhibiting PARP EISAI INC. (US) 2010-07-06 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-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
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 (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-20080058325-A1 COMPOUNDS, METHODS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING PARP PARP1, PARP2, PARP3 MEN1 3639/4885CYP2C9 4031/4885HPGD 291/4885
US-20050020595-A1 Compounds, methods and pharmaceutical compositions for inhibiting PARP PARP1, PARP2, PARP3 MEN1 3554/4885CYP2C9 4053/4885HPGD 326/4885
US-20120309717-A1 COMPOUNDS, METHODS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING PARP PARP1, PARP2, PARP3 MEN1 3554/4885CYP2C9 4053/4885HPGD 326/4885
US-20100256095-A1 COMPOUNDS, METHODS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING PARP PARP1, PARP2, PARP3 MEN1 3554/4885CYP2C9 4053/4885HPGD 326/4885

“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.