SCHEMBL2331528

SCHEMBL2331528

O=[N+]([O-])c1ccccc1-c1cccc(Br)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.65
TDP1 Q9NUW8 3/20 0.65
EIF4E P06730 1/20 0.50
GABRA1 P14867 2/20 0.48
GABRG2 P18507 2/20 0.48
GABRB3 P28472 2/20 0.48
GABRA5 P31644 2/20 0.48
GABRA3 P34903 2/20 0.48
GABRA2 P47869 2/20 0.48
GABRP O00591 1/20 0.48
GABRD O14764 1/20 0.48
GABRB1 P18505 1/20 0.48
GABRB2 P47870 1/20 0.48
GABRA4 P48169 1/20 0.48
GABRE P78334 1/20 0.48
GABRA6 Q16445 1/20 0.48
GABRG1 Q8N1C3 1/20 0.48
GABRG3 Q99928 1/20 0.48
GABRQ Q9UN88 1/20 0.48
S100A4 P26447 2/20 0.45

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
SCHEMBL8499229 0.91 ALDH1A1 (0.54) ALDH1A1TDP1EIF4EGABRA1GABRG2
SCHEMBL17283633 0.84 TDP1 (0.45) ALDH1A1TDP1EIF4EGABRA1GABRG2
SCHEMBL4142462 0.82 TDP1 (0.75) ALDH1A1TDP1S100A4PTPRCNPC1
SCHEMBL15796866 0.82 ALDH1A1 (0.54) ALDH1A1TDP1EIF4EGABRA1GABRG2
SCHEMBL15801518 0.81 ALDH1A1 (0.53) ALDH1A1TDP1EIF4EGABRA1GABRG2
SCHEMBL8051514 0.81 ALDH1A1 (0.67) ALDH1A1TDP1PTPRCNPC1RAB9A
SCHEMBL483903 0.80 ALDH1A1 (0.71) ALDH1A1TDP1EIF4EGABRA1GABRG2
SCHEMBL4649697 0.80 TDP1 (0.40) ALDH1A1TDP1EIF4ES100A4CRHBP
SCHEMBL23282563 0.79 ALDH1A1 (0.65) ALDH1A1TDP1S100A4PTPRCNPC1
SCHEMBL2965629 0.79 TDP1 (0.65) ALDH1A1TDP1S100A4PTPRCNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116874411-B Synthesis method of 1-bromocarbazole 西安欧得光电材料有限公司 2024-04-16 CN disclosed
CN-116874411-A Synthesis method of 1-bromocarbazole 西安欧得光电材料有限公司 2023-10-13 CN disclosed
EP-1856024-B2 METHOD FOR PRODUCING SUBSTITUTED BIPHENYLS BASF SE (DE) 2011-08-17 EP disclosed
US-7772446-B2 Method for producing substituted biphenyls BASF SE (DE) 2010-08-10 US disclosed
EP-1856024-B1 METHOD FOR PRODUCING SUBSTITUTED BIPHENYLS BASF SE (DE) 2008-08-06 EP disclosed
US-20080183021-A1 Method for Producing Substituted Biphenyls BASF SE (DE) 2008-07-31 US disclosed
EP-1856024-A1 METHOD FOR PRODUCING SUBSTITUTED BIPHENYLS BASF AKTIENGESELLSCHAFT (DE) 2007-11-21 EP disclosed
WO-2006092429-A1 METHOD FOR PRODUCING SUBSTITUTED BIPHENYLS BASF AKTIENGESELLSCAHFT (DE) 2006-09-08 WO disclosed
US-6362380-B1 REACTING 2-NITROCHLOROBENZENE AND A BORONIC ACID ; PALLADIUM CATALYST BASF AKTIENGESELLSCHAFT (DE) 2002-03-26 US disclosed
EP-0888261-B1 PROCESS FOR PREPARING NITROBIPHENYLENE BASF AG (DE) 2001-11-28 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 (1 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-20080183021-A1 Method for Producing Substituted Biphenyls CBR3, DDT, HRH3 ALDH1A1 2309/4885TDP1 1458/4885EIF4E 4735/4885

“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.