SCHEMBL7653551

SCHEMBL7653551

Nc1cc(Br)c(Br)cc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
CYP3A4 P08684 2/20 0.53
TDP1 Q9NUW8 4/20 0.52
MAPT P10636 4/20 0.52
MEN1 O00255 2/20 0.52
POLB P06746 2/20 0.52
KMT2A Q03164 2/20 0.52
TSHR P16473 2/20 0.52
ALOX15 P16050 1/20 0.52
CTSB P07858 1/20 0.52
MCL1 Q07820 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
LMNA P02545 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43

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
SCHEMBL11553055 0.91 ALDH1A1 (0.53) ALDH1A1CYP3A4TDP1MAPTMEN1
SCHEMBL11550471 0.89 ALDH1A1 (0.52) ALDH1A1CYP3A4TDP1MAPTMEN1
SCHEMBL13609636 0.89 ALDH1A1 (0.52) ALDH1A1CYP3A4TDP1MAPTMEN1
Bromide SCHEMBL4266547 0.87 ALDH1A1 (0.50) ALDH1A1CYP3A4TDP1MAPTMEN1
SCHEMBL3718211 0.84 ALDH1A1 (0.52) ALDH1A1CYP3A4TDP1MAPTMEN1
SCHEMBL23000479 0.84 MAPT (0.53) ALDH1A1CYP3A4TDP1MAPTMEN1
SCHEMBL2374034 0.84 TSHR (0.52) ALDH1A1CYP3A4TDP1MAPTMEN1
SCHEMBL1192875 0.84 ALDH1A1 (0.47) ALDH1A1CYP3A4TDP1MAPTMEN1
SCHEMBL10892998 0.84 ALDH1A1 (0.53) ALDH1A1CYP3A4TDP1MAPTMEN1
SCHEMBL1799181 0.84 ALDH1A1 (0.53) ALDH1A1CYP3A4TDP1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0010426-A1 Pharmaceutical composition containing 3,4-dihydro-3-oxo-2-quinoxalines, novel such quinoxalines and processes for the production thereof ELI LILLY AND COMPANY (US) 1980-04-30 EP claimed
US-20170327510-A1 PHTHALOCYANINE COMPOUND AND METHOD OF PREPARING THE SAME, COLOR FILTER CONTAINING PHTHALOCYANINE COMPOUND, AND COLORING COMPOSITION DIC CORPORATION (JP) 2017-11-16 US disclosed
US-6399642-B2 TRIS BENZIMIDAZOLES; FUNGICIDES, ANTICARCINOGENIC AGENTS, ENZYME INHIBITOR RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2002-06-04 US disclosed
US-20010009919-A1 Heterocyclic topoisomerase poisons RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2001-07-26 US disclosed
US-6221892-B1 Heterocyclic topoisomerase poisons THE STATE OF UNIVERSITY OF NEW JERSEY, RUTGERS 2001-04-24 US disclosed
EP-1054870-A1 HETEROCYCLIC TOPOISOMERASE POISONS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2000-11-29 EP disclosed
US-6063801-A Heterocyclic topoisomerase poisons RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2000-05-16 US disclosed
WO-1999041241-A1 HETEROCYCLIC TOPOISOMERASE POISONS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 1999-08-19 WO disclosed
US-5622952-A NERVOUS SYSTEM DISORDERS; ADMINISTERING 1,4-DIHYDROQUINOXALINE-2,3-DIONE STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON, EUGENE OREGON (US) 1997-04-22 US disclosed
US-5620979-A TREATING NEURONAL LOSS ASSOCIATED WITH STROKE, ISCHEMIA, CENTRAL NERVOUS SYSTEM TRAUMA, HYPOGLYCEMIA OR SURGERY STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON, EUGENE OREGON (US) 1997-04-15 US disclosed
US-4355030-A Antiviral combinations ELI LILLY AND COMPANY (US) 1982-10-19 US disclosed
US-4289773-A ETHYL 6,7-DIBROMO-3,4-DIHYDRO-3-OXOQUINOXALINE CARBOXYLATE AND A HINDERED AMINE ELI LILLY AND COMPANY (US) 1981-09-15 US disclosed
EP-0029658-A1 Salts of dihalo-2-quinoxaline carboxylic acids, their preparation and pharmaceutical formulations containing them ELI LILLY AND COMPANY (US) 1981-06-03 EP disclosed
US-4271162-A ETHYL 6,7-DICHLORO-3,4-DIHYDRO-3-ONOQUINOXALINE CARBOXYLATE AND 1-AMINOADAMANTANE ELI LILLY AND COMPANY (US) 1981-06-02 US disclosed
US-4264600-A VIRICIDES ELI LILLY AND COMPANY (US) 1981-04-28 US disclosed
US-4252954-A VIRICIDES ELI LILLY AND COMPANY (US) 1981-02-24 US disclosed
EP-0020836-A1 Antiviral combinations ELI LILLY AND COMPANY (US) 1981-01-07 EP disclosed
US-4210647-A INFLUENZA VIRUS, ETHYL 6,7-DIBROMO-3,4-DIHYDRO-3-OXO-2-QUINOXALINECARBOXYLATE, 1-AMINOADAMANTANE ELI LILLY AND COMPANY (US) 1980-07-01 US disclosed
EP-0010426-A1 Pharmaceutical composition containing 3,4-dihydro-3-oxo-2-quinoxalines, novel such quinoxalines and processes for the production thereof ELI LILLY AND COMPANY (US) 1980-04-30 EP disclosed
US-4185018-A Process for producing benzofurazan-1-oxides CIBA-GEIGY CORPORATION (US) 1980-01-22 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 (2 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-20010009919-A1 Heterocyclic topoisomerase poisons TOP1, TOP2A, TOP2B ALDH1A1 2485/4885CYP3A4 1048/4885TDP1 4/4885
US-20170327510-A1 PHTHALOCYANINE COMPOUND AND METHOD OF PREPARING THE SAME, COLOR FILTER CONTAINING PHTHALOCYANINE COMPOUND, AND COLORING COMPOSITION KMT5C, KMT5B, MAP1LC3C ALDH1A1 3593/4885CYP3A4 3059/4885TDP1 3202/4885

“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.