SCHEMBL85508

SCHEMBL85508

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

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NGFR P08138 1/20 0.48
HPGD P15428 3/20 0.45
MEN1 O00255 2/20 0.45
CYP2C9 P11712 2/20 0.45
BLM P54132 2/20 0.45
KMT2A Q03164 2/20 0.45
GRIN2D O15399 1/20 0.45
GRIN3B O60391 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
CYP2C19 P33261 1/20 0.45
GRIN1 Q05586 1/20 0.45
GRIN2A Q12879 1/20 0.45
GRIN2B Q13224 1/20 0.45
GRIN2C Q14957 1/20 0.45
GRIN3A Q8TCU5 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
GPR35 Q9HC97 2/20 0.44

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
SCHEMBL51829 0.86 MEN1 (0.51) HPGDMEN1CYP2C9BLMKMT2A
SCHEMBL52168 0.85 CDK1 (0.47) HPGDMEN1KMT2AALOX15KDM4E
SCHEMBL14235103 0.84 NGFR (0.48) NGFRHPGDMEN1CYP2C9BLM
SCHEMBL13606639 0.79 CDK1 (0.48) HPGDMEN1KMT2AALOX15KDM4E
SCHEMBL85925 0.76 GPR35 (0.50) NGFRHPGDMEN1CYP2C9BLM
SCHEMBL51079 0.76 GAA (0.61) NGFRHPGDMEN1KMT2ACYP1A2
SCHEMBL51080 0.74 GLA (0.59) NGFRHPGDCYP1A2TDP1GPR35
SCHEMBL51286 0.70 ALOX15 (0.41) NGFRHPGDMEN1KMT2AALOX15
SCHEMBL11883433 0.69 GPR35 (0.61) HPGDMEN1CYP2C9BLMKMT2A
SCHEMBL50448 0.69 IDO1 (0.50) HPGDMEN1CYP2C9BLMKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 NGFR 3916/4885HPGD 291/4885MEN1 3639/4885
US-20090088407-A1 Administering temozolomide; poly/adp-ribose/polymerase (PARP) inhibitors; melanoma, lymphoma, glioblastoma multiforme PARP1, PARP2, PARP11 NGFR 919/4885HPGD 971/4885MEN1 348/4885
US-20100256095-A1 COMPOUNDS, METHODS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING PARP PARP1, PARP2, PARP3 NGFR 3888/4885HPGD 326/4885MEN1 3554/4885

“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.