SCHEMBL4804595

SCHEMBL4804595

CN(CCCc1ccc(-c2c[nH]c(=O)c3cccc(O)c23)cc1)Cc1ccc(O)cc1

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.70
RET P07949 2/20 0.41
ACKR3 P25106 1/20 0.37
ROCK2 O75116 1/20 0.36
NAMPT P43490 1/20 0.36
ROCK1 Q13464 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36

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
SCHEMBL4812298 0.94 PARP1 (0.70) PARP1SIGMAR1MAOAMAOB
SCHEMBL4811752 0.94 PARP1 (0.72) PARP1RETROCK2NAMPTROCK1
SCHEMBL4815739 0.93 PARP1 (0.65) PARP1RETROCK2NAMPTROCK1
SCHEMBL14064731 0.91 PARP1 (0.80) PARP1RETROCK2NAMPTROCK1
SCHEMBL4814654 0.89 PARP1 (0.70) PARP1RETROCK2NAMPTROCK1
SCHEMBL4815181 0.88 PARP1 (0.72) PARP1RETROCK2NAMPTROCK1
SCHEMBL27610852 0.87 PARP1 (0.75) PARP1RETROCK2NAMPTROCK1
SCHEMBL6225131 0.84 PARP1 (0.57) PARP1SIGMAR1
SCHEMBL4816105 0.84 PARP1 (0.80) PARP1RETROCK2NAMPTROCK1
SCHEMBL4815278 0.83 PARP1 (0.78) PARP1RETROCK2NAMPTROCK1

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 1/4885RET 3481/4885ACKR3 3746/4885

“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.