SCHEMBL899132

SCHEMBL899132

O=c1[nH]c2ccc([N+](=O)[O-])cc2c2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 6/20 1.00
CTSV O60911 1/20 0.68
CTSL P07711 1/20 0.68
CA12 O43570 2/20 0.67
CA9 Q16790 2/20 0.67
FASN P49327 1/20 0.60
GRIA1 P42261 1/20 0.60
GRIA2 P42262 1/20 0.60
GRIA3 P42263 1/20 0.60
GRIA4 P48058 1/20 0.60
LMNA P02545 3/20 0.55
MEN1 O00255 2/20 0.55
ALDH1A1 P00352 2/20 0.55
KMT2A Q03164 2/20 0.55
KDM4E B2RXH2 1/20 0.55
TNKS O95271 1/20 0.55
CYP1A2 P05177 1/20 0.55
GPR3 P46089 1/20 0.55
BLM P54132 1/20 0.55
PMP22 Q01453 1/20 0.55

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
SCHEMBL6647395 0.87 PARP1 (0.82) PARP1CTSVCTSLCA12CA9
SCHEMBL30272741 0.85 CTSV (0.79) PARP1CTSVCTSLCA12CA9
SCHEMBL30272742 0.85 CTSV (0.79) PARP1CTSVCTSLCA12CA9
SCHEMBL30272743 0.85 CTSV (0.79) PARP1CTSVCTSLCA12CA9
SCHEMBL151534 0.85 CTSV (0.79) PARP1CTSVCTSLCA12CA9
SCHEMBL11365834 0.84 PARP1 (0.72) PARP1CTSVCTSLCA12CA9
SCHEMBL29540314 0.82 GABRA1 (0.70) PARP1CTSVCTSLCA12CA9
SCHEMBL155013 0.82 GABRA1 (0.70) PARP1CTSVCTSLCA12CA9
SCHEMBL7251935 0.81 PARP1 (0.68) PARP1CTSVCTSLCA12CA9
SCHEMBL21828651 0.81 CTSV (1.00) PARP1CTSVCTSLCA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11759524-B2 Mitochondrially targeted PARP inhibitor, and uses thereof University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2023-09-19 US claimed
US-20210379191-A1 Mitochondrially Targeted PARP Inhibitor, and Uses Thereof UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2021-12-09 US claimed
US-6358975-B1 ADMINISTERING 3,4-DIHYDRO-5-(4-(1-PIPERIDINYL)-BUTOX)-1 (2H)-ISOQUINOLINONE, A SELECTIVE INHIBITOR OF POLY(ADP-RIBOSE) POLYMERASE FOR PROPHYLAXIS OF NEURAL TISSUE DAMAGE RESULTING FROM ISCHEMIA AND REPERFUSION INJURY OR NEURODEGENERATIVE JOHNS HOPKINS UNIVERSITY 2002-03-19 US claimed
US-5874444-A CONTROLLING CELL AGING GERON CORPORATION (US) 1999-02-23 US claimed
WO-1998027975-A1 POLY(ADP-RIBOSE) POLYMERASE INHIBITORS TO TREAT DISEASES ASSOCIATED WITH CELLULAR SENESCENCE GERON CORPORATION (US) 1998-07-02 WO claimed
EP-0638309-A1 Substances inhibiting proteic adp ribosilation suitable to prevent the diabetes mellitus complications ISTITUTO BIOCHIMICO ITALIANO GIOVANNI LORENZINI S.p.A. (IT) 1995-02-15 EP claimed
EP-4419094-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF HYPERPROLIFERATIVE, INFLAMMATORY, AND IMMUNOLOGICAL DISEASES, AND INFECTIONS Edison Oncology (US) 2024-08-28 EP disclosed
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
US-11759524-B2 Mitochondrially targeted PARP inhibitor, and uses thereof University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2023-09-19 US 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-20210379191-A1 Mitochondrially Targeted PARP Inhibitor, and Uses Thereof UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2021-12-09 US disclosed
US-6235748-B1 CENTRAL NERVOUS SYSTEM DISORDERS; CARDIOVASCULAR DISORDERS GUILFORD PHARMACEUTICALS INC. 2001-05-22 US disclosed
WO-2001016136-A2 TRICYCLIC INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASES AGOURON PHARMACEUTICALS, INC. (US) 2001-03-08 WO disclosed
WO-2000042040-A1 TRICYCLIC INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASES AGOURON PHARMACEUTICALS, INC. (US) 2000-07-20 WO disclosed
WO-1999008680-A1 METHOD OF USING SELECTIVE PARP INHIBITORS TO PREVENT OR TREAT NEUROTOXICITY THE JOHNS HOPKINS UNIVERSITY (US) 1999-02-25 WO disclosed
US-5874444-A CONTROLLING CELL AGING GERON CORPORATION (US) 1999-02-23 US disclosed
US-5589483-A Isoquinoline poly (ADP-ribose) polymerase inhibitors to treat skin diseases associated with cellular senescence GERON CORPORATION (US) 1996-12-31 US disclosed
EP-0638309-A1 Substances inhibiting proteic adp ribosilation suitable to prevent the diabetes mellitus complications ISTITUTO BIOCHIMICO ITALIANO GIOVANNI LORENZINI S.p.A. (IT) 1995-02-15 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-11446274-B2 Use of dianhydrogalactitol or derivatives or analogs thereof for treatment of pediatric central nervous system malignancies DCK, CDC7, DNMT1 PARP1 418/4885CTSV 4719/4885CTSL 3550/4885
US-11759524-B2 Mitochondrially targeted PARP inhibitor, and uses thereof PARP1, PARP2, PARP3 PARP1 1/4885CTSV 3134/4885CTSL 2203/4885
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 92/4885CTSV 2705/4885CTSL 1533/4885
US-20210379191-A1 Mitochondrially Targeted PARP Inhibitor, and Uses Thereof PARP1, PARP2, PARP3 PARP1 1/4885CTSV 3134/4885CTSL 2203/4885

“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.