SCHEMBL103199

SCHEMBL103199

COc1cccc(Br)c1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.53
ALDH1A1 P00352 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.47
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
PRMT1 Q99873 1/20 0.42
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
MAPT P10636 1/20 0.40
GAA P10253 1/20 0.40
GFER P55789 1/20 0.40
TSHR P16473 1/20 0.40
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40

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
SCHEMBL31549911 1.00 TDP1 (0.53) TDP1ALDH1A1L3MBTL1KDM4EPOLB
SCHEMBL1961457 0.86 TDP1 (0.63) TDP1ALDH1A1L3MBTL1KDM4EPOLB
SCHEMBL2494137 0.82 TDP1 (0.51) TDP1ALDH1A1L3MBTL1KDM4EPOLB
SCHEMBL30439274 0.82 TDP1 (0.51) TDP1ALDH1A1L3MBTL1KDM4EPOLB
Methyl Alcohol SCHEMBL27781923 0.82 TDP1 (0.59) TDP1ALDH1A1L3MBTL1KDM4EPOLB
SCHEMBL9452627 0.81 ALDH1A1 (0.52) TDP1ALDH1A1TSHR
SCHEMBL20489366 0.81 TDP1 (0.53) TDP1ALDH1A1L3MBTL1KDM4EPOLB
SCHEMBL30729936 0.81 PDE7A (0.49) TDP1ALDH1A1L3MBTL1KDM4EPOLB
SCHEMBL27184243 0.81 PDE7A (0.49) TDP1ALDH1A1L3MBTL1KDM4EPOLB
SCHEMBL16590518 0.80 TDP1 (0.57) TDP1ALDH1A1L3MBTL1KDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109265350-A The synthetic method of acaricide Bifenazate intermediate 3- nitro -4- methoxyl biphenyl 山东省农药科学研究院 2019-01-25 CN claimed
CN-105273324-A Flame retardant used for high glow wires and preparation method thereof NINGXIA RUNLONG PACKAGING MATERIAL CO LTD 2016-01-27 CN claimed
WO-2024219864-A1 NOVEL COMPOUND EXHIBITING SETDB1 INHIBITORY ACTIVITY, AND USE THEREOF 주식회사 넷타겟 2024-10-24 WO disclosed
US-20240101548-A1 HYDROXAMATE COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SHENZHEN CHIPSCREEN BIOSCIENCES CO., LTD (CN) 2024-03-28 US disclosed
US-11744144-B2 Organic electroluminescent element, light-emitting material therefor, light emitting device, display device, and illumination device UDC IRELAND LIMITED (IE) 2023-08-29 US disclosed
CN-113582907-A Preparation method of 5-hydrogen-benzo [ B ] carbazole derivative and derivative thereof 陕西维世诺新材料有限公司 2021-11-02 CN disclosed
US-11053205-B2 Phenazine derivatives as antimicrobial agents UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2021-07-06 US disclosed
CN-107973727-B M-disubstituted phenol compound, preparation method and anti-tubercle bacillus application thereof 中山大学 2020-04-17 CN disclosed
CN-109912437-A A kind of polyamine monomers and preparation method thereof, a kind of polyimides and preparation method thereof and a kind of Kapton 吉林大学 2019-06-21 CN disclosed
CN-109265350-A The synthetic method of acaricide Bifenazate intermediate 3- nitro -4- methoxyl biphenyl 山东省农药科学研究院 2019-01-25 CN disclosed
EP-3053984-B1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT USING SAME LG CHEMICAL LTD (KR) 2018-10-31 EP disclosed
US-20120277237-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2012-11-01 US disclosed
EP-2426115-A2 Alkynyl derivatives as modulators of metabotropic glutamate receptors Addex Pharma SA (CH) 2012-03-07 EP disclosed
US-8101637-B2 Alkynyl derivatives as modulators of metatropic glutamate receptors ADDEX PHARMA SA (CH) 2012-01-24 US disclosed
CN-102170882-A Compositions and methods of treating amyloid disease TREVENTIS CORP 2011-08-31 CN disclosed
WO-2010049731-A1 PYRAZOLO- AND IMIDAZOPYRIDINYLPYRIMIDINEAMINES AS IGF-1R TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2010-05-06 WO disclosed
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS ADDEX PHARMACEUTICALS SA (CH) 2009-05-14 US disclosed
EP-1765795-A2 ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Addex Pharmaceuticals SA (CH) 2007-03-28 EP disclosed
CN-1791600-A Benzothiazole derivatives as adenosine receptor ligands HOFFMANN LA ROCHE (CH) 2006-06-21 CN disclosed
WO-2005123703-A2 ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMACEUTICALS SA (CH) 2005-12-29 WO 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-20240101548-A1 HYDROXAMATE COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF TYK2, WEE2, WEE1 TDP1 1205/4885ALDH1A1 3779/4885L3MBTL1 4252/4885
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 TDP1 3469/4885ALDH1A1 2496/4885L3MBTL1 4070/4885
US-20120277237-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 TDP1 2938/4885ALDH1A1 2153/4885L3MBTL1 3907/4885
US-11053205-B2 Phenazine derivatives as antimicrobial agents ROS1, NOX4, PRDX3 TDP1 3827/4885ALDH1A1 701/4885L3MBTL1 4638/4885

“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.