SCHEMBL7250753

SCHEMBL7250753

O=c1[nH]c2ccc(Cl)cc2c2c(O)cccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.52
GRIN2D O15399 2/20 0.51
GRIN3B O60391 2/20 0.51
GRIN1 Q05586 2/20 0.51
GRIN2A Q12879 2/20 0.51
GRIN2B Q13224 2/20 0.51
GRIN2C Q14957 2/20 0.51
GRIN3A Q8TCU5 2/20 0.51
DAO P14920 4/20 0.50
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
KMT2A Q03164 1/20 0.49
PARP1 P09874 2/20 0.49
PIM1 P11309 2/20 0.47
CDK2 P24941 2/20 0.47
CLK2 P49760 2/20 0.47
GSK3B P49841 2/20 0.47
CAMK2B Q13554 2/20 0.47
CAMK2G Q13555 2/20 0.47

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
SCHEMBL7254515 0.82 PARP1 (0.57) KDM4EGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7252325 0.82 PARP1 (0.49) KDM4EGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7585508 0.82 PARP1 (0.62) KDM4EDAOALDH1A1MAPTPARP1
SCHEMBL7252401 0.82 ROCK2 (0.52) KDM4EGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7255327 0.79 GRIN2D (0.52) KDM4EGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7250779 0.77 PARP1 (0.66) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7254661 0.77 HCRTR1 (0.53) KDM4EGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL29204435 0.77 PARP1 (0.64) KDM4EGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL25835543 0.75 CDC25A (0.56) KDM4EGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL11363158 0.74 MEN1 (0.44) KDM4EGRIN2DGRIN3BGRIN1GRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030105102-A1 Oxo-substituted compounds, process of making, and compositions and methods for inhibiting PARP activity GUILFORD PHARMACEUTICALS INC. 2003-06-05 US claimed
US-20020022636-A1 OXO-SUBSTITUTED COMPOUNDS, PROCESS OF MAKING, AND COMPOSITIONS AND METHODS FOR INHIBITING PARP ACTIVITY GUILFORD PHARMACEUTICALS INC. 2002-02-21 US claimed
EP-1009739-A2 OXO-SUBSTITUTED COMPOUNDS, PROCESS OF MAKING, AND COMPOSITIONS AND METHODS FOR INHIBITING PARP ACTIVITY GUILFORD PHARMACEUTICALS INC. (US) 2000-06-21 EP claimed
WO-1999011624-A1 OXO-SUBSTITUTED COMPOUNDS, PROCESS OF MAKING, AND COMPOSITIONS AND METHODS FOR INHIBITING PARP ACTIVITY GUILFORD PHARMACEUTICALS INC. (US) 1999-03-11 WO claimed
US-6235748-B1 CENTRAL NERVOUS SYSTEM DISORDERS; CARDIOVASCULAR DISORDERS GUILFORD PHARMACEUTICALS INC. 2001-05-22 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 (2 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-20020022636-A1 OXO-SUBSTITUTED COMPOUNDS, PROCESS OF MAKING, AND COMPOSITIONS AND METHODS FOR INHIBITING PARP ACTIVITY PARP2, PARP1, PARP3 KDM4E 1776/4885GRIN2D 2968/4885GRIN3B 2070/4885
US-20030105102-A1 Oxo-substituted compounds, process of making, and compositions and methods for inhibiting PARP activity PARP1, PARP3, PARP2 KDM4E 1485/4885GRIN2D 3290/4885GRIN3B 1925/4885

“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.