SCHEMBL24508

SCHEMBL24508

O=[N+]([O-])c1cc(Br)ccc1Br

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 1/20 0.56
TRPV1 Q8NER1 1/20 0.56
ALDH1A1 P00352 5/20 0.53
CYP2D6 P10635 1/20 0.53
MAPT P10636 4/20 0.46
KDM4E B2RXH2 2/20 0.46
CYP3A4 P08684 1/20 0.44
HSP90AA1 P07900 1/20 0.43
TLR9 Q9NR96 1/20 0.43
CTSB P07858 1/20 0.43
ERN1 O75460 1/20 0.43
LMNA P02545 2/20 0.42
MAPK1 P28482 2/20 0.42
MEN1 O00255 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 1/20 0.42
XDH P47989 1/20 0.41
ABCB1 P08183 1/20 0.40
ABCC1 P33527 1/20 0.40
PKM P14618 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
SCHEMBL29395434 1.00 S100A4 (0.56) S100A4TRPV1ALDH1A1CYP2D6MAPT
SCHEMBL28864122 0.87 S100A4 (0.50) S100A4TRPV1ALDH1A1CYP2D6MAPT
SCHEMBL1561802 0.84 TSHR (0.56) S100A4TRPV1ALDH1A1MAPTCYP3A4
SCHEMBL12566736 0.84 MAPT (0.50) S100A4TRPV1ALDH1A1CYP2D6MAPT
SCHEMBL29431838 0.82 CYP19A1 (0.49) S100A4TRPV1ALDH1A1CYP2D6MAPT
SCHEMBL165733 0.82 CYP19A1 (0.49) S100A4TRPV1ALDH1A1CYP2D6MAPT
SCHEMBL204357 0.82 S100A4 (0.61) S100A4TRPV1ALDH1A1MAPTKDM4E
SCHEMBL29364870 0.80 TDP1 (0.61) S100A4ALDH1A1CYP2D6MAPTKDM4E
SCHEMBL399325 0.80 TDP1 (0.61) S100A4ALDH1A1CYP2D6MAPTKDM4E
SCHEMBL3282011 0.80 S100A4 (0.50) S100A4TRPV1ALDH1A1KDM4ECYP3A4

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 1282 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117327022-A Triptycene cinnoline electron transport compound, preparation method thereof, organic electron transport complex and organic electroluminescent device 广东工业大学 2024-01-02 CN claimed
CN-116751216-A Non-condensed asymmetric indole derivative nuclear small molecule acceptor material and preparation method thereof 湖南科技大学 2023-09-15 CN claimed
CN-115232074-A Synthesis method of 1-alkyl substituted-2-methyl-5-bromobenzimidazole 湖南复瑞生物医药技术有限责任公司 2022-10-25 CN claimed
CN-113072552-A Beta-carboline GSK3 beta/DYRK 1A dual inhibitor, preparation method thereof and application thereof in resisting Alzheimer disease 中国人民解放军北部战区总医院 2021-07-06 CN claimed
CN-107501023-B Method for preparing halogenated (hetero) arene 辽宁大学 2020-08-25 CN claimed
CN-107445886-B Preparation method of high-purity 3-bromo-9-phenylcarbazole 北京八亿时空液晶科技股份有限公司 2020-02-21 CN claimed
CN-110627611-A Method for synthesizing 1, 4-dibromo-2, 5-diiodobenzene 山东瑞辰新材料有限公司 2019-12-31 CN claimed
CN-108623473-A The synthetic method of one kind 2,5- dibromo p-phenylenediamine 重庆大学 2018-10-09 CN claimed
US-9634260-B2 Method for preparing conjugated compound having phenoxathiin and electron donating group of conjugated aromatic unit, and OLED device having the conjugated compound SHENZHEN CHINA STAR OPTOELECTRONICS TECHNOLOGY CO., LTD. (CN) 2017-04-25 US claimed
US-20160322584-A1 CONJUGATED COMPOUND HAVING PHENOXATHIINL, METHOD FOR PREPARING THE SAME AND OLED DEVICE SHENZHEN CHINA STAR OPTOELECTRONICS TECHNOLOGY CO., LTD. (CN) 2016-11-03 US claimed
CN-104945339-A Preparation method for 1,4-disubstituted-1,2,3-triazole derivatives UNIV KUNMING SCIENCE & TECHNOLOGY 2015-09-30 CN claimed
CN-104844587-A Conjugated compound comprising phenoxathiin structure and preparation method thereof and organic electroluminescence light emitting diode device SHENZHEN CHINA STAR OPTOELECT 2015-08-19 CN claimed
US-9096623-B1 Method for preparing radiotracer precursor SnADAM Atomic Energy Council—Institute of Nuclear Energy Research (TW) 2015-08-04 US claimed
CN-104649954-A Phenanthrocarbazole derivative and application of phenanthrocarbazole derivative in organic electroluminescence devices BEIJING ETERNAL MATERIAL TECHNOLOGY CO LTD 2015-05-27 CN claimed
US-7906724-B2 N-type conjugated materials based on 2-vinyl-4,5-dicyanoimidazoles and their use in organic photovoltaics AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2011-03-15 US claimed
US-20090032106-A1 N-type conjugated materials based on 2-vinyl-4,5-dicyanoimidazoles and their use in organic photovoltaics AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH 2009-02-05 US claimed
US-5094545-A Solid solution with nucleating agent and indicator dye PYMA CORPORATION (US) 1992-03-10 US claimed
US-4232552-A THERMOCHROMISM, DISPOSABLE THERMOMETERS AKZONA INCORPORATED (US) 1980-11-11 US claimed
JP-2241536-A None JP disclosed
US-4053639-A 2-(2,2' OR 2,2'-FLUORO OR DIFLUORO-4-BIPHENYLYL)PROPAN-1-OL; ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC THE BOOTS COMPANY LIMITED (EN) 1977-10-11 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-20160322584-A1 CONJUGATED COMPOUND HAVING PHENOXATHIINL, METHOD FOR PREPARING THE SAME AND OLED DEVICE AOC2, OCIAD2, AOX1 S100A4 3831/4885TRPV1 3439/4885ALDH1A1 1133/4885
US-20090032106-A1 N-type conjugated materials based on 2-vinyl-4,5-dicyanoimidazoles and their use in organic photovoltaics NECTIN4, VCL, VDAC3 S100A4 838/4885TRPV1 1865/4885ALDH1A1 2445/4885

“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.