SCHEMBL4814654

SCHEMBL4814654

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

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.70
RET P07949 4/20 0.45
ROCK1 Q13464 1/20 0.39
KMT2A Q03164 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
GSK3B P49841 1/20 0.37
ROCK2 O75116 2/20 0.37
NAMPT P43490 2/20 0.37
HTR2B P41595 3/20 0.36
NEK1 Q96PY6 1/20 0.35
HTR2A P28223 2/20 0.35
HTR2C P28335 2/20 0.35
HTR1A P08908 1/20 0.35
DRD1 P21728 1/20 0.35
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35
HTR1E P28566 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
HTR7 P34969 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
SCHEMBL4815739 0.96 PARP1 (0.65) PARP1RETROCK1KMT2ATAAR1
SCHEMBL4811752 0.95 PARP1 (0.72) PARP1RETROCK1KMT2ATAAR1
SCHEMBL4815278 0.90 PARP1 (0.78) PARP1RETROCK1ROCK2NAMPT
SCHEMBL14064731 0.89 PARP1 (0.80) PARP1RETROCK1GSK3BROCK2
SCHEMBL4804595 0.89 PARP1 (0.70) PARP1RETROCK1ROCK2NAMPT
SCHEMBL4815181 0.88 PARP1 (0.72) PARP1RETROCK1KMT2ATAAR1
SCHEMBL27610852 0.85 PARP1 (0.75) PARP1RETROCK1ROCK2NAMPT
SCHEMBL30859698 0.82 PARP1 (1.00) PARP1RETROCK1TAAR1ROCK2
SCHEMBL4154686 0.82 PARP1 (1.00) PARP1RETROCK1TAAR1ROCK2
SCHEMBL4812298 0.82 PARP1 (0.70) PARP1KMT2ATAAR1

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 3481/4885ROCK1 3767/4885

“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.