SCHEMBL4815089

SCHEMBL4815089

O=c1[nH]cc(-c2ccc(CN3CC=C(c4ccccc4)CC3)c3ccccc23)c2c(O)cccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.46
HTT P42858 2/20 0.46
PARP1 P09874 3/20 0.46
MAPT P10636 6/20 0.45
KDM4E B2RXH2 5/20 0.45
DRD2 P14416 4/20 0.44
HTR1A P08908 3/20 0.44
HTR2A P28223 2/20 0.44
HTR7 P34969 1/20 0.42
DRD3 P35462 3/20 0.42
DRD4 P21917 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ATM Q13315 1/20 0.42
DRD1 P21728 1/20 0.41
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40

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 0.86 PARP1 (0.53) GAAHTTPARP1MAPTKDM4E
SCHEMBL4817530 0.85 PARP1 (0.53) GAAHTTPARP1MAPTKDM4E
SCHEMBL27610853 0.79 PARP1 (0.54) PARP1
SCHEMBL4815291 0.78 PARP1 (0.45) GAAHTTPARP1MAPTKDM4E
SCHEMBL4815282 0.78 PARP1 (0.45) GAAHTTPARP1MAPTKDM4E
SCHEMBL4813426 0.74 PARP1 (0.51) HTTPARP1DRD2HTR1AHTR2A
SCHEMBL1719798 0.72 DRD2 (0.76) HTTPARP1KDM4EDRD2HTR1A
SCHEMBL14064676 0.71 PARP1 (0.65) PARP1MAPTKDM4EMEN1KMT2A
SCHEMBL11916947 0.70 PARP1 (0.65) GAAPARP1MAPTKDM4EDRD2
SCHEMBL6437727 0.70 PARP1 (0.66) PARP1MAPTKDM4EDRD2HTR1A

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 GAA 175/4885HTT 152/4885PARP1 1/4885

“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.