SCHEMBL7579692

SCHEMBL7579692

Cc1cccc2c(=O)[nH]cc(Br)c12

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 9/20 0.45
TRIM24 O15164 1/20 0.38
TRIM33 Q9UPN9 1/20 0.38
NR4A2 P43354 1/20 0.37
TNKS O95271 2/20 0.37
TNKS2 Q9H2K2 2/20 0.37
GSK3B P49841 1/20 0.37
PARP2 Q9UGN5 1/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2A6 P11509 1/20 0.37
BRPF1 P55201 1/20 0.37
GPR84 Q9NQS5 1/20 0.36
CHEK1 O14757 1/20 0.36

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
SCHEMBL29613182 1.00 PARP1 (0.45) PARP1TRIM24TRIM33NR4A2TNKS
SCHEMBL158010 0.86 PARP1 (0.45) PARP1TRIM24TRIM33TNKSTNKS2
SCHEMBL12440976 0.83 PARP1 (0.49) PARP1TRIM24TRIM33TNKSTNKS2
SCHEMBL12439850 0.79 PARP1 (0.45) PARP1TRIM24TRIM33TNKSTNKS2
SCHEMBL7583657 0.79 PARP1 (0.49) PARP1TNKSTNKS2GSK3BKDM4E
SCHEMBL19871818 0.79 PARP1 (0.45) PARP1GSK3BKDM4ECYP1A2GPR84
SCHEMBL12286658 0.76 PARP1 (0.49) PARP1TRIM24TRIM33NR4A2TNKS
SCHEMBL18069130 0.73 GPR84 (0.58) PARP1CYP2A6GPR84
SCHEMBL151493 0.72 PARP1 (0.59) PARP1TNKSTNKS2GSK3BKDM4E
SCHEMBL29613219 0.72 PARP1 (0.59) PARP1TNKSTNKS2GSK3BKDM4E

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
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
EP-3265453-B1 NEW PYRIDINONES AND ISOQUINOLINONES AS INHIBITORS OF THE BROMODOMAIN BRD9 BOEHRINGER INGELHEIM INT (DE) 2022-06-29 EP disclosed
US-11319318-B2 Pyridinones and isoquinolinones as inhibitors of the bromodomain BRD9 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-05-03 US disclosed
US-20180044335-A1 New Pyridinones and Isoquinolinones as Inhibitors of the Bromodomain BRD9 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-02-15 US disclosed
US-9006442-B2 Cannabinoid receptor modulators LUPIN LIMITED (IN) 2015-04-14 US disclosed
US-20130178457-A1 CANNABINOID RECEPTOR MODULATORS LUPIN LIMITED (IN) 2013-07-11 US disclosed
WO-2013005168-A2 CANNABINOID RECEPTOR MODULATORS LUPIN LIMITED (IN) 2013-01-10 WO disclosed
WO-2012090177-A2 CANNABINOID RECEPTOR MODULATORS LUPIN LIMITED (IN) 2012-07-05 WO disclosed
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
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 (4 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-20180044335-A1 New Pyridinones and Isoquinolinones as Inhibitors of the Bromodomain BRD9 BRD9, BRD1, BRD2 PARP1 178/4885TRIM24 1867/4885TRIM33 4148/4885
US-20020019417-A1 Methods, compounds and compositions for treating gout PARP2, PARP1, PARP3 PARP1 2/4885TRIM24 2272/4885TRIM33 987/4885
US-11319318-B2 Pyridinones and isoquinolinones as inhibitors of the bromodomain BRD9 BRD9, BRD1, BRD2 PARP1 172/4885TRIM24 1806/4885TRIM33 4091/4885
US-20130178457-A1 CANNABINOID RECEPTOR MODULATORS CNR1, CNR2, GPR18 PARP1 3852/4885TRIM24 4797/4885TRIM33 4434/4885

“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.