SCHEMBL4815181

SCHEMBL4815181

CN(CCc1ccccc1)Cc1ccc(-c2c[nH]c(=O)c3cccc(O)c23)cc1

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.72
KMT2A Q03164 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
HDAC1 Q13547 2/20 0.44
ROCK2 O75116 1/20 0.39
NAMPT P43490 1/20 0.39
ROCK1 Q13464 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
ACHE P22303 1/20 0.38
DAO P14920 1/20 0.38
RET P07949 1/20 0.38
SIGMAR1 Q99720 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
SCHEMBL4812298 0.94 PARP1 (0.70) PARP1KMT2ATAAR1HDAC1SIGMAR1
SCHEMBL4811752 0.94 PARP1 (0.72) PARP1KMT2ATAAR1HDAC1ROCK2
SCHEMBL4816105 0.92 PARP1 (0.80) PARP1KMT2AHDAC1ROCK2NAMPT
SCHEMBL4814654 0.88 PARP1 (0.70) PARP1KMT2ATAAR1ROCK2NAMPT
SCHEMBL4804595 0.88 PARP1 (0.70) PARP1ROCK2NAMPTROCK1RET
SCHEMBL4815278 0.87 PARP1 (0.78) PARP1ROCK2NAMPTROCK1DAO
SCHEMBL14064731 0.86 PARP1 (0.80) PARP1ROCK2NAMPTROCK1LMNA
SCHEMBL4815739 0.84 PARP1 (0.65) PARP1KMT2ATAAR1ROCK2NAMPT
SCHEMBL4154686 0.84 PARP1 (1.00) PARP1TAAR1ROCK2NAMPTROCK1
SCHEMBL30859698 0.84 PARP1 (1.00) PARP1TAAR1ROCK2NAMPTROCK1

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 3 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 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

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 1/4885KMT2A 1174/4885TAAR1 4729/4885

“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.