SCHEMBL4811752

SCHEMBL4811752

CN(CCc1ccc(-c2c[nH]c(=O)c3cccc(O)c23)cc1)Cc1ccc(O)cc1

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.72
RET P07949 3/20 0.43
KMT2A Q03164 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
HDAC1 Q13547 2/20 0.38
ROCK2 O75116 1/20 0.37
NAMPT P43490 1/20 0.37
ROCK1 Q13464 1/20 0.37
GSK3B P49841 1/20 0.35
TNKS O95271 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35

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
SCHEMBL4814654 0.95 PARP1 (0.70) PARP1RETKMT2ATAAR1ROCK2
SCHEMBL4804595 0.94 PARP1 (0.70) PARP1RETROCK2NAMPTROCK1
SCHEMBL4815181 0.94 PARP1 (0.72) PARP1RETKMT2ATAAR1HDAC1
SCHEMBL14064731 0.92 PARP1 (0.80) PARP1RETROCK2NAMPTROCK1
SCHEMBL4815739 0.91 PARP1 (0.65) PARP1RETKMT2ATAAR1ROCK2
SCHEMBL4812298 0.88 PARP1 (0.70) PARP1KMT2ATAAR1HDAC1
SCHEMBL4815278 0.87 PARP1 (0.78) PARP1RETROCK2NAMPTROCK1
SCHEMBL4816105 0.86 PARP1 (0.80) PARP1RETKMT2AHDAC1ROCK2
SCHEMBL4154686 0.84 PARP1 (1.00) PARP1RETTAAR1ROCK2NAMPT
SCHEMBL30859698 0.84 PARP1 (1.00) PARP1RETTAAR1ROCK2NAMPT

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 3481/4885KMT2A 1174/4885

“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.