SCHEMBL14975726

SCHEMBL14975726

NCCOc1c(-c2cccc(Br)c2)[nH]c(=O)c2cc(F)ccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 19/20 1.00
PARP2 Q9UGN5 7/20 1.00
PARP3 Q9Y6F1 12/20 0.78
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39
GABRA4 P48169 1/20 0.39
GABRE P78334 1/20 0.39
GABRA6 Q16445 1/20 0.39
GABRG1 Q8N1C3 1/20 0.39
GABRG3 Q99928 1/20 0.39
GABRQ Q9UN88 1/20 0.39

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
SCHEMBL30418188 1.00 PARP1 (1.00) PARP1PARP2PARP3GABRPGABRD
SCHEMBL30417578 0.88 PARP1 (1.00) PARP1PARP2PARP3
SCHEMBL14977263 0.88 PARP1 (1.00) PARP1PARP2PARP3
SCHEMBL854579 0.88 PARP1 (0.86) PARP1PARP2PARP3
SCHEMBL854829 0.87 PARP1 (0.77) PARP1PARP2PARP3GABRPGABRD
SCHEMBL854817 0.87 PARP1 (0.78) PARP1PARP2PARP3GABRPGABRD
Hydrochloric Acid SCHEMBL14976967 0.87 PARP1 (0.98) PARP1PARP2PARP3
Hydrochloric Acid SCHEMBL854721 0.86 PARP1 (0.84) PARP1PARP2PARP3
Hydrochloric Acid SCHEMBL853885 0.86 PARP1 (0.77) PARP1PARP2PARP3GABRPGABRD
SCHEMBL14975996 0.85 PARP1 (1.00) PARP1PARP2PARP3

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9422243-B2 3-phenyl-isoquinolin-1(2H)-one derivatives as PARP-1 inhibitors NERVIANO MEDICAL SCIENCES S.R.L. a corporation (IT) 2016-08-23 US claimed
US-20140336192-A1 3-PHENYL-ISOQUINOLIN-1(2H)-ONE DERIVATIVES AS PARP-1 INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. a corporation 2014-11-13 US claimed
EP-2788328-A1 3-PHENYL-ISOQUINOLIN-1(2H)-ONE DERIVATIVES AS PARP-1 INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2014-10-15 EP claimed
WO-2013076090-A1 3-PHENYL-ISOQUINOLIN-1(2H)-ONE DERIVATIVES AS PARP-1 INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-05-30 WO claimed
US-20240156808-A1 Compositions and methods to improve the therapeutic benefit of suboptimally chemical compounds and biological therapies including substituted camptothecins such as irinotecan and topotecan for the treatment of benign and neoplastic hyperproliferative disease conditions, infections, inflammatory and immunological diseases EDISON ONCOLOGY (US) 2024-05-16 US disclosed
EP-4297746-A2 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED COMPOUNDS AND THERAPIES FOR THE TREATMENT OF DISEASES Edison Oncology (US) 2024-01-03 EP disclosed
WO-2023069727-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF HYPERPROLIFERATIVE, INFLAMMATORY, AND IMMUNOLOGICAL DISEASES, AND INFECTIONS EDISON ONCOLOGY (US) 2023-04-27 WO disclosed
US-11446274-B2 Use of dianhydrogalactitol or derivatives or analogs thereof for treatment of pediatric central nervous system malignancies DEL MAR PHARMACEUTICALS (BC) LTD. (CA) 2022-09-20 US disclosed
US-20190183843-A9 USE OF DIANHYDROGALACTITOL OR DERIVATIVES OR ANALOGS THEREOF FOR TREATMENT OF PEDIATRIC CENTRAL NERVOUS SYSTEM MALIGNANCIES DELMAR PHARMACEUTICALS, INC. (CA) 2019-06-20 US disclosed
US-20190175541-A1 USE OF DIANHYDROGALACTITOL OR DERIVATIVES OR ANALOGS THEREOF FOR TREATMENT OF PEDIATRIC CENTRAL NERVOUS SYSTEM MALIGNANCIES DELMAR PHARMACEUTICALS, INC. (CA) 2019-06-13 US disclosed
US-20190091195-A1 USE OF DIANHYDROGALACTITOL AND DERIVATIVES THEREOF IN THE TREATMENT OF GLIOBLASTOMA, LUNG CANCER, AND OVARIAN CANCER DEL MAR PHARMACEUTICALS (CA) 2019-03-28 US disclosed
US-20180071244-A1 USE OF DIANHYDROGALACTITOL OR DERIVATIVES OR ANALOGS THEREOF FOR TREATMENT OF PEDIATRIC CENTRAL NERVOUS SYSTEM MALIGNANCIES DELMAR PHARMACEUTICALS INC (CA) 2018-03-15 US disclosed
US-9422243-B2 3-phenyl-isoquinolin-1(2H)-one derivatives as PARP-1 inhibitors NERVIANO MEDICAL SCIENCES S.R.L. a corporation (IT) 2016-08-23 US disclosed
US-9422243-B2 3-phenyl-isoquinolin-1(2H)-one derivatives as PARP-1 inhibitors NERVIANO MEDICAL SCIENCES S.R.L. a corporation (IT) 2016-08-23 US disclosed
US-20140336192-A1 3-PHENYL-ISOQUINOLIN-1(2H)-ONE DERIVATIVES AS PARP-1 INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. a corporation 2014-11-13 US disclosed
US-20140336192-A1 3-PHENYL-ISOQUINOLIN-1(2H)-ONE DERIVATIVES AS PARP-1 INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. a corporation 2014-11-13 US disclosed
US-20140336192-A1 3-PHENYL-ISOQUINOLIN-1(2H)-ONE DERIVATIVES AS PARP-1 INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. a corporation 2014-11-13 US disclosed
EP-2788328-A1 3-PHENYL-ISOQUINOLIN-1(2H)-ONE DERIVATIVES AS PARP-1 INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2014-10-15 EP disclosed
WO-2013076090-A1 3-PHENYL-ISOQUINOLIN-1(2H)-ONE DERIVATIVES AS PARP-1 INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-05-30 WO disclosed
WO-2013076090-A1 3-PHENYL-ISOQUINOLIN-1(2H)-ONE DERIVATIVES AS PARP-1 INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-05-30 WO 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 (7 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-20190175541-A1 USE OF DIANHYDROGALACTITOL OR DERIVATIVES OR ANALOGS THEREOF FOR TREATMENT OF PEDIATRIC CENTRAL NERVOUS SYSTEM MALIGNANCIES DCK, CDC7, DNMT1 PARP1 418/4885PARP2 422/4885PARP3 932/4885
US-11446274-B2 Use of dianhydrogalactitol or derivatives or analogs thereof for treatment of pediatric central nervous system malignancies DCK, CDC7, DNMT1 PARP1 418/4885PARP2 422/4885PARP3 932/4885
US-20180071244-A1 USE OF DIANHYDROGALACTITOL OR DERIVATIVES OR ANALOGS THEREOF FOR TREATMENT OF PEDIATRIC CENTRAL NERVOUS SYSTEM MALIGNANCIES DCK, CDC7, DNMT1 PARP1 418/4885PARP2 422/4885PARP3 932/4885
US-20240156808-A1 Compositions and methods to improve the therapeutic benefit of suboptimally chemical compounds and biological therapies including substituted camptothecins such as irinotecan and topotecan for the treatment of benign and neoplastic hyperproliferative disease conditions, infections, inflammatory and immunological diseases TOP2A, TOP2B, TOP1 PARP1 92/4885PARP2 108/4885PARP3 655/4885
US-20190183843-A9 USE OF DIANHYDROGALACTITOL OR DERIVATIVES OR ANALOGS THEREOF FOR TREATMENT OF PEDIATRIC CENTRAL NERVOUS SYSTEM MALIGNANCIES DCK, CDC7, DNMT1 PARP1 418/4885PARP2 422/4885PARP3 932/4885
US-20140336192-A1 3-PHENYL-ISOQUINOLIN-1(2H)-ONE DERIVATIVES AS PARP-1 INHIBITORS PARP1, PARP2, PARP11 PARP1 1/4885PARP2 2/4885PARP3 4/4885
US-20190091195-A1 USE OF DIANHYDROGALACTITOL AND DERIVATIVES THEREOF IN THE TREATMENT OF GLIOBLASTOMA, LUNG CANCER, AND OVARIAN CANCER DDOST, DCLRE1A, OGG1 PARP1 248/4885PARP2 196/4885PARP3 639/4885

“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.