SCHEMBL4817530

SCHEMBL4817530

O=c1[nH]cc(-c2cccc(CN3CC=C(c4ccccc4)CC3)c2)c2c(O)cccc12

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 5/20 0.53
DRD2 P14416 7/20 0.51
HTR1A P08908 6/20 0.51
HTR2A P28223 3/20 0.51
HTT P42858 2/20 0.51
OPRM1 P35372 1/20 0.47
OPRK1 P41145 1/20 0.47
GAA P10253 3/20 0.46
DRD4 P21917 1/20 0.46
KDM4E B2RXH2 3/20 0.43
MAPT P10636 3/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.42

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
SCHEMBL4810830 0.91 PARP1 (0.53) PARP1DRD2HTR1AHTR2AHTT
SCHEMBL4815089 0.85 GAA (0.46) PARP1DRD2HTR1AHTR2AHTT
SCHEMBL27610853 0.83 PARP1 (0.54) PARP1
SCHEMBL4813426 0.81 PARP1 (0.51) PARP1DRD2HTR1AHTR2AHTT
SCHEMBL4815291 0.80 PARP1 (0.45) PARP1DRD2HTR1AHTR2AHTT
SCHEMBL4815282 0.80 PARP1 (0.45) PARP1DRD2HTR1AHTR2AHTT
SCHEMBL1719798 0.78 DRD2 (0.76) PARP1DRD2HTR1AHTR2AHTT
SCHEMBL7866359 0.74 DRD2 (0.69) DRD2HTR1AHTR2AHTTOPRM1
SCHEMBL7975118 0.74 DRD4 (0.59) PARP1DRD2HTR1AHTR2AHTT
SCHEMBL14064676 0.74 PARP1 (0.65) PARP1KDM4EMAPTMEN1KMT2A

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 7 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
CN-100348584-C 4-Substituted Aryl-5-Hydroxyisoquinolinone Derivatives KYORIN SEIYAKU KK (JP) 2007-11-14 CN disclosed
US-20060173039-A1 4-(Substituted aryl)-5-hydroxyisoquinolinone derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2006-08-03 US disclosed
CN-1671668-A 4-(substituted aryl)-5-hydroxyisoquinolinone derivative KYORIN SEIYAKU KK (JP) 2005-09-21 CN 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 1/4885DRD2 4369/4885HTR1A 637/4885

“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.