SCHEMBL4812985

SCHEMBL4812985

O=c1[nH]cc(-c2ccc(/C=C/CN3CCCC3)cc2)c2c(O)cccc12

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.52
LTA4H P09960 1/20 0.42
MAPT P10636 3/20 0.40
HRH3 Q9Y5N1 2/20 0.39
KMT2A Q03164 2/20 0.38
ROCK2 O75116 1/20 0.37
NAMPT P43490 1/20 0.37
ROCK1 Q13464 2/20 0.36
HTR2A P28223 2/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
RET P07949 1/20 0.36
ALDH1A1 P00352 3/20 0.36
USP2 O75604 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.35
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL4812987 1.00 PARP1 (0.52) PARP1LTA4HMAPTHRH3KMT2A
SCHEMBL4815291 0.84 PARP1 (0.45) PARP1MAPTKMT2AHTR2AMEN1
SCHEMBL4815282 0.84 PARP1 (0.45) PARP1MAPTKMT2AHTR2AMEN1
SCHEMBL4809540 0.81 PARP1 (0.63) PARP1HRH3ROCK2NAMPTROCK1
SCHEMBL4816006 0.80 PARP1 (0.67) PARP1ROCK2NAMPTROCK1HTR2A
SCHEMBL4816011 0.80 PARP1 (0.67) PARP1ROCK2NAMPTROCK1HTR2A
SCHEMBL14064743 0.74 PARP1 (0.64) PARP1KMT2ANAMPTHTR2ATSHR
SCHEMBL4806329 0.74 PARP1 (0.64) PARP1KMT2ANAMPTHTR2ATSHR
SCHEMBL14064676 0.73 PARP1 (0.65) PARP1MAPTKMT2ARETALDH1A1
SCHEMBL4154686 0.69 PARP1 (1.00) PARP1HRH3ROCK2NAMPTROCK1

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 1/4885LTA4H 2875/4885MAPT 3842/4885

“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.