SCHEMBL4815282

SCHEMBL4815282

O=c1[nH]cc(-c2ccc(/C=C/CN3CC=C(c4ccccc4)CC3)cc2)c2c(O)cccc12

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 8/20 0.45
GAA P10253 2/20 0.39
HTT P42858 2/20 0.39
MAPT P10636 2/20 0.39
DRD2 P14416 2/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
HTR1A P08908 2/20 0.37
HTR2A P28223 1/20 0.37

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
SCHEMBL4815291 1.00 PARP1 (0.45) PARP1GAAHTTMAPTDRD2
SCHEMBL4810830 0.84 PARP1 (0.53) PARP1GAAHTTMAPTDRD2
SCHEMBL4812987 0.84 PARP1 (0.52) PARP1MAPTMEN1KMT2AHTR2A
SCHEMBL4812985 0.84 PARP1 (0.52) PARP1MAPTMEN1KMT2AHTR2A
SCHEMBL4817530 0.80 PARP1 (0.53) PARP1GAAHTTMAPTDRD2
SCHEMBL4815089 0.78 GAA (0.46) PARP1GAAHTTMAPTDRD2
SCHEMBL14064676 0.74 PARP1 (0.65) PARP1MAPTKDM4EMEN1KMT2A
SCHEMBL4813426 0.73 PARP1 (0.51) PARP1HTTDRD2HTR1AHTR2A
SCHEMBL4816011 0.73 PARP1 (0.67) PARP1DRD3KDM4EHTR1AHTR2A
SCHEMBL4816006 0.73 PARP1 (0.67) PARP1DRD3KDM4EHTR1AHTR2A

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-7425563-B2 Excellent poly (ADP-ribose) synthetase inhibitors; various ischemic diseases, inflammatory diseases, neurodegenerative diseases, diabetes, septic shock, cephalic injury; 1,2-Dihydro-4-[4-(dimethylaminomethyl)phenyl]-5-hydroxy-1-oxoisoquinoline KYORIN PHARMACEUTICAL CO., LTD. (JP) 2008-09-16 US disclosed
US-7425563-B2 Excellent poly (ADP-ribose) synthetase inhibitors; various ischemic diseases, inflammatory diseases, neurodegenerative diseases, diabetes, septic shock, cephalic injury; 1,2-Dihydro-4-[4-(dimethylaminomethyl)phenyl]-5-hydroxy-1-oxoisoquinoline KYORIN PHARMACEUTICAL CO., LTD. (JP) 2008-09-16 US disclosed
US-7425563-B2 Excellent poly (ADP-ribose) synthetase inhibitors; various ischemic diseases, inflammatory diseases, neurodegenerative diseases, diabetes, septic shock, cephalic injury; 1,2-Dihydro-4-[4-(dimethylaminomethyl)phenyl]-5-hydroxy-1-oxoisoquinoline KYORIN PHARMACEUTICAL CO., LTD. (JP) 2008-09-16 US disclosed
US-20060173039-A1 4-(Substituted aryl)-5-hydroxyisoquinolinone derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2006-08-03 US disclosed
EP-1544194-A1 4-(SUBSTITUTED ARYL)-5-HYDROXYISOQUINOLINONE DERIVATIVE KYORIN PHARMACEUTICAL CO., LTD. (JP) 2005-06-22 EP 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 (1 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-20060173039-A1 4-(Substituted aryl)-5-hydroxyisoquinolinone derivative PARP1, PARP11, PARP4 PARP1 1/4885GAA 175/4885HTT 152/4885

“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.