SCHEMBL502543

SCHEMBL502543

O=C1OC(=O)c2ccc(Br)c3c(Br)ccc1c23

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TYMS P04818 4/20 0.48
ALOX15 P16050 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 2/20 0.35
S100A4 P26447 1/20 0.34
PTPRC P08575 1/20 0.34
MEN1 O00255 2/20 0.34
POLB P06746 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP1B1 Q16678 3/20 0.33
TSHR P16473 1/20 0.33
FEN1 P39748 1/20 0.32
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL13753271 0.86 TYMS (0.41) TYMSALOX15TDP1ALDH1A1MEN1
SCHEMBL148025 0.84 TYMS (0.62) TYMSALOX15TDP1ALDH1A1MEN1
SCHEMBL9111658 0.83 TYMS (0.50) TYMSALOX15TDP1ALDH1A1S100A4
SCHEMBL3187376 0.79 S100A4 (0.46) ALDH1A1S100A4PTPRCMEN1POLB
SCHEMBL29362967 0.79 TYMS (0.61) TYMSALDH1A1MEN1POLBKMT2A
SCHEMBL320954 0.79 TYMS (0.61) TYMSALDH1A1MEN1POLBKMT2A
SCHEMBL200283 0.78 TYMS (0.47) TYMSALDH1A1MEN1POLBKMT2A
SCHEMBL128103 0.77 TYMS (0.41) TYMSALOX15TDP1ALDH1A1MEN1
SCHEMBL4324585 0.76 TYMS (0.41) TYMSALOX15TDP1ALDH1A1MEN1
SCHEMBL32670397 0.76 TYMS (0.41) TYMSALOX15TDP1ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118359635-A Small molecular compound based on trinaphthalene diimide structure, polymer, preparation method and application 天津大学 2024-07-19 CN claimed
CN-111808097-B Solvent yellow 184 derivative and preparation method and application thereof 厦门大学 2021-10-22 CN claimed
CN-111808097-A Solvent yellow 184 derivative and preparation method and application thereof 厦门大学 2020-10-23 CN claimed
CN-115850234-B N-phenyl-1, 8-naphthalimide derivative and preparation method and application thereof 厦门大学 2024-10-22 CN disclosed
CN-118359635-A Small molecular compound based on trinaphthalene diimide structure, polymer, preparation method and application 天津大学 2024-07-19 CN disclosed
CN-115850234-A N-phenyl-1, 8-naphthalimide derivative and preparation method and application thereof 厦门大学 2023-03-28 CN disclosed
CN-110431140-B Fluorescent colorants based on cyanoaryl-substituted naphthoylene benzimidazole compounds 巴斯夫欧洲公司 2022-11-01 CN disclosed
CN-114967328-A Colored resin composition 住友化学株式会社 2022-08-30 CN disclosed
EP-3728269-B1 CYANOARYL SUBSTITUTED BENZ(OTHI)OXANTHENE COMPOUNDS BASF SE (DE) 2022-03-09 EP disclosed
US-11236101-B2 Cyanoaryl substituted benz(othi)oxanthene compounds BASF SE (DE) 2022-02-01 US disclosed
CN-111808097-B Solvent yellow 184 derivative and preparation method and application thereof 厦门大学 2021-10-22 CN disclosed
US-20090305429-A1 Method for Detecting Alkylating Agents TECHNION RESEARCH & DEVELOPMENT FOUNDATION LTD. (IL) 2009-12-10 US disclosed
US-7608715-B2 Such as 2-(2,6-diisopropyl-phenyl)-6-(2-hydroxyethoxy)-benzo[de]isoquinoline-1,3-dione; whitening agents SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2009-10-27 US disclosed
US-20090258430-A1 Method for identifying electrophiles and nucleophiles in a sample TECHNION RESEARCH & DEVELOPMENT FOUNDATION LTD. (IL) 2009-10-15 US disclosed
US-20090258430-A1 Method for identifying electrophiles and nucleophiles in a sample TECHNION RESEARCH & DEVELOPMENT FOUNDATION LTD. (IL) 2009-10-15 US disclosed
EP-2085766-A2 Method for identifying electrophiles and nucleophiles in a sample Technion Research and Development Foundation, Ltd. (IL) 2009-08-05 EP disclosed
EP-1966145-A2 FLUORESCENT BRIGHTENERS AND COMPOSITIONS THEREOF, METHODS OF PREPARATION AND USES The General Electric Company (US) 2008-09-10 EP disclosed
WO-2007074461-A1 METHOD FOR DETECTING ALKYLATING AGENTS TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) 2007-07-05 WO disclosed
WO-2007062002-A2 FLUORESCENT BRIGHTENERS AND COMPOSITIONS THEREOF, METHODS OF PREPARATION AND USES GENERAL ELECTRIC COMPANY (US) 2007-05-31 WO disclosed
US-20070117887-A1 Fluorescent brighteners, methods of preparation thereof, fluorescent brightener compositions, and methods of preparation and uses thereof SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2007-05-24 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-20070117887-A1 Fluorescent brighteners, methods of preparation thereof, fluorescent brightener compositions, and methods of preparation and uses thereof C1R, C1S, C9 TYMS 2089/4885ALOX15 1563/4885TDP1 3612/4885
US-11236101-B2 Cyanoaryl substituted benz(othi)oxanthene compounds CBR3, CBR1, OXER1 TYMS 3227/4885ALOX15 2810/4885TDP1 3519/4885

“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.