SCHEMBL4859629

SCHEMBL4859629

CCCCCc1cc2c(O)cccc2c(=O)[nH]1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.71
CTSV O60911 1/20 0.51
CTSL P07711 1/20 0.51
GPR84 Q9NQS5 10/20 0.49
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
HSD17B10 Q99714 2/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 1/20 0.43
PLA2G7 Q13093 1/20 0.43
GHSR Q92847 1/20 0.42

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
Hydrochloric Acid SCHEMBL6643776 0.84 PARP1 (0.51) PARP1CTSVCTSLKDM4EALDH1A1
SCHEMBL15775671 0.83 PARP1 (1.00) PARP1CTSVCTSLGPR84KMT2A
Hydrochloric Acid SCHEMBL6646894 0.82 PARP1 (0.49) PARP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL2532412 0.79 PARP1 (0.65) PARP1CTSVCTSLGPR84KDM4E
SCHEMBL15775820 0.79 PARP1 (0.64) PARP1CTSVCTSLGPR84ALDH1A1
SCHEMBL6644949 0.78 PARP1 (0.51) PARP1
SCHEMBL9540950 0.76 PARP1 (0.61) PARP1CTSVCTSLGPR84GHSR
SCHEMBL7343701 0.74 LOXL2 (0.60) PARP1CTSVCTSLGPR84KDM4E
SCHEMBL6644504 0.73 HRH3 (0.49) PARP1KDM4EPLA2G7
SCHEMBL16144851 0.72 ALDH1A1 (0.57) PARP1CTSVCTSLKDM4EALDH1A1

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-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
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 1/4885CTSV 2233/4885CTSL 2520/4885

“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.