SCHEMBL3159337

SCHEMBL3159337

NC(=O)c1cccc2[nH]c(-c3ccc(CNC4CCC4)cc3)nc12

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 20/20 0.70
DHODH Q02127 1/20 0.60
PARP2 Q9UGN5 5/20 0.59

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
SCHEMBL3150782 0.99 PARP1 (0.69) PARP1DHODHPARP2
SCHEMBL3159349 0.98 PARP1 (0.70) PARP1DHODHPARP2
SCHEMBL29179992 0.97 PARP1 (0.69) PARP1DHODHPARP2
SCHEMBL3165660 0.96 PARP1 (0.72) PARP1DHODHPARP2
SCHEMBL3150584 0.95 PARP1 (0.71) PARP1DHODHPARP2
SCHEMBL3154796 0.90 PARP1 (0.63) PARP1DHODHPARP2
SCHEMBL3159109 0.87 PARP1 (0.62) PARP1DHODHPARP2
SCHEMBL3150801 0.85 PARP1 (0.65) PARP1DHODHPARP2
SCHEMBL3155321 0.85 PARP1 (0.61) PARP1DHODHPARP2
SCHEMBL3159180 0.84 PARP1 (0.61) PARP1DHODHPARP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1966157-B1 SUBSTITUTED 1H-BENZIMIDAZOLE-4-CARBOXAMIDES ARE POTENT PARP INHIBITORS ABBOTT LAB (US) 2010-03-24 EP claimed
US-7595406-B2 Substituted 1H-benzimidazole-4-carboxamides are potent PARP inhibitors ABBOTT LABORATORIES INC. (US) 2009-09-29 US claimed
US-7462724-B2 Substituted 1H-benzimidazole-4-carboxamides are potent PARP inhibitors ABBOTT LABORATORIES (US) 2008-12-09 US claimed
EP-1966157-A2 SUBSTITUTED 1H-BENZIMIDAZOLE-4-CARBOXAMIDES ARE POTENT PARP INHIBITORS Abbott Laboratories (US) 2008-09-10 EP claimed
US-20070270476-A1 SUBSTITUTED 1H-BENZIMIDAZOLE-4-CARBOXAMIDES ARE POTENT PARP INHIBITORS ABBVIE INC. 2007-11-22 US claimed
WO-2007059230-A2 SUBSTITUTED 1H-BENZIMIDAZOLE-4-CARBOXAMIDES ARE POTENT PARP INHIBITORS ABBOTT LABORATORIES (US) 2007-05-24 WO claimed
US-20070112047-A1 SUBSTITUTED 1H-BENZIMIDAZOLE-4-CARBOXAMIDES ARE POTENT PARP INHIBITORS ABBVIE INC. 2007-05-17 US claimed
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
EP-1966157-B1 SUBSTITUTED 1H-BENZIMIDAZOLE-4-CARBOXAMIDES ARE POTENT PARP INHIBITORS ABBOTT LAB (US) 2010-03-24 EP disclosed
US-7595406-B2 Substituted 1H-benzimidazole-4-carboxamides are potent PARP inhibitors ABBOTT LABORATORIES INC. (US) 2009-09-29 US disclosed
US-7462724-B2 Substituted 1H-benzimidazole-4-carboxamides are potent PARP inhibitors ABBOTT LABORATORIES (US) 2008-12-09 US disclosed
EP-1966157-A2 SUBSTITUTED 1H-BENZIMIDAZOLE-4-CARBOXAMIDES ARE POTENT PARP INHIBITORS Abbott Laboratories (US) 2008-09-10 EP disclosed
US-20070270476-A1 SUBSTITUTED 1H-BENZIMIDAZOLE-4-CARBOXAMIDES ARE POTENT PARP INHIBITORS ABBVIE INC. 2007-11-22 US disclosed
WO-2007059230-A2 SUBSTITUTED 1H-BENZIMIDAZOLE-4-CARBOXAMIDES ARE POTENT PARP INHIBITORS ABBOTT LABORATORIES (US) 2007-05-24 WO disclosed
US-20070112047-A1 SUBSTITUTED 1H-BENZIMIDAZOLE-4-CARBOXAMIDES ARE POTENT PARP INHIBITORS ABBVIE INC. 2007-05-17 US 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 418/4885DHODH 1189/4885PARP2 422/4885
US-20070112047-A1 SUBSTITUTED 1H-BENZIMIDAZOLE-4-CARBOXAMIDES ARE POTENT PARP INHIBITORS PARP1, PARP2, PARP4 PARP1 1/4885DHODH 1661/4885PARP2 2/4885
US-11446274-B2 Use of dianhydrogalactitol or derivatives or analogs thereof for treatment of pediatric central nervous system malignancies DCK, CDC7, DNMT1 PARP1 418/4885DHODH 1189/4885PARP2 422/4885
US-20180071244-A1 USE OF DIANHYDROGALACTITOL OR DERIVATIVES OR ANALOGS THEREOF FOR TREATMENT OF PEDIATRIC CENTRAL NERVOUS SYSTEM MALIGNANCIES DCK, CDC7, DNMT1 PARP1 418/4885DHODH 1189/4885PARP2 422/4885
US-20190183843-A9 USE OF DIANHYDROGALACTITOL OR DERIVATIVES OR ANALOGS THEREOF FOR TREATMENT OF PEDIATRIC CENTRAL NERVOUS SYSTEM MALIGNANCIES DCK, CDC7, DNMT1 PARP1 418/4885DHODH 1189/4885PARP2 422/4885
US-20190091195-A1 USE OF DIANHYDROGALACTITOL AND DERIVATIVES THEREOF IN THE TREATMENT OF GLIOBLASTOMA, LUNG CANCER, AND OVARIAN CANCER DDOST, DCLRE1A, OGG1 PARP1 248/4885DHODH 201/4885PARP2 196/4885
US-20070270476-A1 SUBSTITUTED 1H-BENZIMIDAZOLE-4-CARBOXAMIDES ARE POTENT PARP INHIBITORS PARP1, PARP2, PARP4 PARP1 1/4885DHODH 1661/4885PARP2 2/4885

“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.