SCHEMBL4154686

SCHEMBL4154686

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 6/20 1.00
ROCK2 O75116 2/20 0.46
NAMPT P43490 2/20 0.46
TTK P33981 1/20 0.46
AURKB Q96GD4 1/20 0.46
INCENP Q9NQS7 1/20 0.46
TNKS O95271 5/20 0.44
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
NEK1 Q96PY6 1/20 0.42
RET P07949 1/20 0.41
ROCK1 Q13464 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
PARP2 Q9UGN5 1/20 0.38
PARP3 Q9Y6F1 1/20 0.38
PBK Q96KB5 1/20 0.37

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
SCHEMBL30859698 1.00 PARP1 (1.00) PARP1ROCK2NAMPTTTKAURKB
Hydrochloric Acid SCHEMBL4816152 0.99 PARP1 (0.98) PARP1ROCK2NAMPTTTKAURKB
Bromide SCHEMBL4816768 0.99 PARP1 (0.98) PARP1ROCK2NAMPTTTKAURKB
SCHEMBL4815090 0.94 PARP1 (0.89) PARP1ROCK2NAMPTTTKAURKB
SCHEMBL4816105 0.89 PARP1 (0.80) PARP1ROCK2NAMPTRETROCK1
SCHEMBL14064731 0.89 PARP1 (0.80) PARP1ROCK2NAMPTTNKSRET
SCHEMBL4815278 0.88 PARP1 (0.78) PARP1ROCK2NAMPTHTR2AHTR2C
SCHEMBL27610852 0.86 PARP1 (0.75) PARP1ROCK2NAMPTHTR2AHTR2C
SCHEMBL4811752 0.84 PARP1 (0.72) PARP1ROCK2NAMPTTNKSRET
SCHEMBL4815181 0.84 PARP1 (0.72) PARP1ROCK2NAMPTRETROCK1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090226412-A1 AGENT FOR REDUCTION OF BLEEDING IN CEREBROVASCULAR DISORDER ONO PHARMACEUTICAL CO., LTD., (JP) 2009-09-10 US claimed
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 claimed
EP-1908481-A1 AGENT FOR REDUCTION OF BLEEDING IN CEREBROVASCULAR DISORDER ONO PHARMACEUTICAL CO., LTD. (JP) 2008-04-09 EP claimed
US-20060173039-A1 4-(Substituted aryl)-5-hydroxyisoquinolinone derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2006-08-03 US claimed
EP-1544194-A1 4-(SUBSTITUTED ARYL)-5-HYDROXYISOQUINOLINONE DERIVATIVE KYORIN PHARMACEUTICAL CO., LTD. (JP) 2005-06-22 EP claimed
WO-2014204856-A1 FATTY ACID ANTICANCER DERIVATIVES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2014-12-24 WO disclosed
US-20090226412-A1 AGENT FOR REDUCTION OF BLEEDING IN CEREBROVASCULAR DISORDER ONO PHARMACEUTICAL CO., LTD., (JP) 2009-09-10 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-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
EP-1908481-A1 AGENT FOR REDUCTION OF BLEEDING IN CEREBROVASCULAR DISORDER ONO PHARMACEUTICAL CO., LTD. (JP) 2008-04-09 EP 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 (2 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-20090226412-A1 AGENT FOR REDUCTION OF BLEEDING IN CEREBROVASCULAR DISORDER PARP1, PARP3, PARP2 PARP1 1/4885ROCK2 1007/4885NAMPT 430/4885
US-20060173039-A1 4-(Substituted aryl)-5-hydroxyisoquinolinone derivative PARP1, PARP11, PARP4 PARP1 1/4885ROCK2 3947/4885NAMPT 368/4885

“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.