SCHEMBL7581652

SCHEMBL7581652

CC(=O)Nc1cccc2c1CCNC2=O

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 7/20 0.56
PARP10 Q53GL7 3/20 0.56
PARP11 Q9NR21 3/20 0.56
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
GAA P10253 1/20 0.52
HPGD P15428 1/20 0.52
HSD17B10 Q99714 1/20 0.52
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
CASP3 P42574 1/20 0.50
MAOA P21397 1/20 0.47
ACHE P22303 1/20 0.45

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
SCHEMBL4814588 0.78 NPC1 (0.56) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL5582807 0.76 NPC1 (0.54) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL6922984 0.75 PARP1 (0.58) PARP1PARP10PARP11ACHE
SCHEMBL4133308 0.74 P2RX7 (0.54)
SCHEMBL7581679 0.73 PARP1 (0.56) PARP1PARP10PARP11ACHE
SCHEMBL27883759 0.73 PARP1 (0.65) PARP1PARP10PARP11ACHE
SCHEMBL830807 0.73 PARP1 (1.00) PARP1PARP10PARP11ACHE
SCHEMBL29687894 0.73 PARP1 (1.00) PARP1PARP10PARP11ACHE
SCHEMBL831538 0.73 PARP1 (1.00) PARP1PARP10PARP11ACHE
SCHEMBL25452008 0.72 PARP10 (0.51) PARP1PARP10PARP11ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0355750-B1 Substituted dihydroisoquinolinones and related compounds as potentiators of the lethal effects of radiation and certain chemotherapeutic agents; selected compounds, analogs and process WARNER LAMBERT CO (US) 1995-01-25 EP claimed
US-5177075-A Antitumor agents WARNER-LAMBERT COMPANY (US) 1993-01-05 US claimed
EP-0355750-A1 Substituted dihydroisoquinolinones and related compounds as potentiators of the lethal effects of radiation and certain chemotherapeutic agents; selected compounds, analogs and process WARNER-LAMBERT COMPANY (US) 1990-02-28 EP claimed
US-6348475-B1 POLYMERASE INHIBITOR GUILFORD PHARMACEUTICALS INC. 2002-02-19 US disclosed
US-20020019417-A1 Methods, compounds and compositions for treating gout EISAI INC. 2002-02-14 US disclosed
WO-2001091796-A2 METHODS, COMPOUNDS AND COMPOSITIONS FOR TREATING GOUT GUILFORD PHARMACEUTICALS INC. (US) 2001-12-06 WO disclosed
EP-0355750-B1 Substituted dihydroisoquinolinones and related compounds as potentiators of the lethal effects of radiation and certain chemotherapeutic agents; selected compounds, analogs and process WARNER LAMBERT CO (US) 1995-01-25 EP disclosed
US-5177075-A Antitumor agents WARNER-LAMBERT COMPANY (US) 1993-01-05 US disclosed
EP-0355750-A1 Substituted dihydroisoquinolinones and related compounds as potentiators of the lethal effects of radiation and certain chemotherapeutic agents; selected compounds, analogs and process WARNER-LAMBERT COMPANY (US) 1990-02-28 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-20020019417-A1 Methods, compounds and compositions for treating gout PARP2, PARP1, PARP3 PARP1 2/4885PARP10 15/4885PARP11 7/4885

“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.