SCHEMBL835486

SCHEMBL835486

O=Nc1c(F)cccc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.42
CES1 P23141 4/20 0.42
AURKA O14965 1/20 0.38
ALOX5 P09917 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
AURKB Q96GD4 1/20 0.38
AURKC Q9UQB9 1/20 0.38
BCHE P06276 1/20 0.37
HSP90AA1 P07900 1/20 0.36
ALB P02768 1/20 0.34
ERN1 O75460 1/20 0.34
ALDH1A1 P00352 2/20 0.33
PKM P14618 1/20 0.33
PKLR P30613 1/20 0.33
ACHE P22303 1/20 0.33
DAO P14920 2/20 0.32
DDO Q99489 2/20 0.32

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
SCHEMBL13529099 0.88 CDK5 (0.40) CES2CES1AURKAALOX5GSK3A
SCHEMBL11918053 0.85 CES2 (0.36) CES2CES1AURKAALOX5GSK3A
SCHEMBL10387393 0.83 MEN1 (0.43) ALDH1A1
SCHEMBL12351496 0.83 HTT (0.40) CES2CES1AURKAALOX5GSK3A
SCHEMBL12329402 0.83 ACHE (0.48) CES2CES1AURKAALOX5GSK3A
SCHEMBL19251030 0.79 RAB9A (0.36) ALDH1A1
SCHEMBL14256871 0.79 PTGS2 (0.38) CES1PKM
SCHEMBL12351495 0.78 RAB9A (0.41) ALDH1A1PKM
SCHEMBL10292132 0.78 NFE2L2 (0.43) BCHEALDH1A1ACHECA12CA9
SCHEMBL13081953 0.78 ALB (0.57) CES2CES1BCHEALBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12497368-B2 Arylazo-heteroaryl compounds and their use for long-term thermal energy storage BRANDEIS UNIVERSITY (US) 2025-12-16 US disclosed
CN-116120185-B Method for preparing nitroso-containing aromatic compound from amino-containing aromatic compound 安徽省化工研究院 2025-01-28 CN disclosed
CN-115197131-B Azo 2-aminonicotinic acid benzyl ester derivative and preparation method and application thereof 华东理工大学 2024-12-03 CN disclosed
CN-118994098-A Visible light response thienyl azobenzene compound 上海交通大学绍兴新能源与分子工程研究院 2024-11-22 CN disclosed
CN-111087345-B Azobenzene heterocyclic amide derivative, and preparation method and application thereof 华东理工大学 2024-10-15 CN disclosed
WO-2024034642-A1 AZOBENZENE DERIVATIVE, METHOD FOR PRODUCING AZOBENZENE DERIVATIVE, PHOTOTHERMAL STORAGE MATERIAL, ADHESIVE, OPTICAL ELEMENT, AND ACTUATOR MATERIAL 国立研究開発法人産業技術総合研究所 2024-02-15 WO disclosed
CN-111217722-B Azo aryl urea derivative, and preparation method and application thereof 华东理工大学 2024-01-02 CN disclosed
CN-116120185-A Method for preparing nitroso-containing aromatic compound from amino-containing aromatic compound 安徽省化工研究院 2023-05-16 CN disclosed
US-20230053197-A1 ARYLAZO-HETEROARYL COMPOUNDS AND THEIR USE FOR LONG-TERM THERMAL ENERGY STORAGE IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2023-02-16 US disclosed
CN-115197131-A Azo 2-amino benzyl nicotinate derivative and preparation method and application thereof 华东理工大学 2022-10-18 CN disclosed
US-7439314-B2 Catalysts for olefin polymerization E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-10-21 US disclosed
US-7439239-B2 Tricyclic δ- opioid modulators JANSSEN PHARMACEUTICA N.V. (BG) 2008-10-21 US disclosed
WO-2008115153-A1 N-HETEROCYCLIC CARBENE (NHC) CATALYZED SYNTHESIS OF HYDROXAMIC ACIDS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2008-09-25 WO disclosed
US-20080076924-A1 Piperazines as P2X7 antagonists ABBOTT LABORATORIES 2008-03-27 US disclosed
WO-2008005368-A2 PIPERAZINES AS P2X7 ANTAGONISTS ABBOTT LABORATORIES (US) 2008-01-10 WO disclosed
US-6897275-B2 Catalysts for olefin polymerization E. I. DU PONT DE NEMOURS AND COMPANY (US) 2005-05-24 US disclosed
US-20050043496-A1 Catalysts for olefin polymerization WANG LIN (CN) 2005-02-24 US disclosed
EP-1292624-A2 CATALYSTS FOR OLEFIN POLYMERIZATION E.I. DU PONT DE NEMOURS AND COMPANY (US) 2003-03-19 EP disclosed
US-20020032289-A1 Catalysts for olefin polymerization E.I. DU PONT DE NEMOURS AND COMPANY 2002-03-14 US disclosed
WO-2001092342-A2 CATALYSTS FOR OLEFIN POLYMERIZATION E.I. DU PONT DE NEMOURS AND COMPANY (US) 2001-12-06 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 (3 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-20230053197-A1 ARYLAZO-HETEROARYL COMPOUNDS AND THEIR USE FOR LONG-TERM THERMAL ENERGY STORAGE NQO1, CBR1, AHR CES2 1304/4885CES1 733/4885AURKA 1696/4885
US-12497368-B2 Arylazo-heteroaryl compounds and their use for long-term thermal energy storage NQO1, RECQL, AHR CES2 910/4885CES1 1467/4885AURKA 603/4885
US-20080076924-A1 Piperazines as P2X7 antagonists P2RX7, P2RX1, P2RX2 CES2 2062/4885CES1 1903/4885AURKA 2853/4885

“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.