SCHEMBL173749

SCHEMBL173749

O=C1NC(Cc2ccccc2)C(=O)N2CCCC12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 10/20 0.73
HDAC1 Q13547 9/20 0.73
HDAC6 Q9UBN7 5/20 0.64
HDAC3 O15379 3/20 0.64
HDAC7 Q8WUI4 3/20 0.64
HDAC2 Q92769 3/20 0.64
HDAC10 Q969S8 3/20 0.64
HDAC11 Q96DB2 3/20 0.64
HDAC8 Q9BY41 3/20 0.64
HDAC9 Q9UKV0 3/20 0.64
HDAC5 Q9UQL6 3/20 0.64
SMN1; SMN2 Q16637 1/20 0.58
TRPM8 Q7Z2W7 1/20 0.56
F2 P00734 2/20 0.55

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
SCHEMBL18311480 1.00 HDAC4 (0.73) HDAC4HDAC1HDAC6HDAC3HDAC7
SCHEMBL2019443 1.00 HDAC4 (0.73) HDAC4HDAC1HDAC6HDAC3HDAC7
SCHEMBL29355458 1.00 HDAC4 (0.73) HDAC4HDAC1HDAC6HDAC3HDAC7
SCHEMBL6248993 1.00 HDAC4 (0.73) HDAC4HDAC1HDAC6HDAC3HDAC7
SCHEMBL22286556 1.00 HDAC4 (0.73) HDAC4HDAC1HDAC6HDAC3HDAC7
SCHEMBL25986065 0.96 HDAC4 (0.72) HDAC4HDAC1HDAC6HDAC3HDAC7
SCHEMBL30540151 0.96 HDAC4 (0.72) HDAC4HDAC1HDAC6HDAC3HDAC7
SCHEMBL24614335 0.92 HDAC4 (0.64) HDAC4HDAC1HDAC6HDAC3HDAC7
SCHEMBL24614260 0.92 HDAC4 (0.64) HDAC4HDAC1HDAC6HDAC3HDAC7
SCHEMBL24614249 0.92 HDAC4 (0.64) HDAC4HDAC1HDAC6HDAC3HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116686847-A Metabolite of bacillus atrophaeus LB6-2 and application thereof 新疆农业科学院植物保护研究所 2023-09-05 CN claimed
EP-2594134-B1 USE OF AN AGRICULTURAL AGENT CONTAINING 2,5-DIKETOPIPERAZINE DERIVATIVE AS ACTIVE INGREDIENT REPUBLIC OF KOREA (MANAGEMENT: RURAL DEV ADMINISTRATION) (KR) 2017-08-02 EP claimed
US-20170204102-A1 AGRICULTURAL AGENT CONTAINING 2,5-DIKETOPIPERAZINE DERIVATIVE AS ACTIVE INGREDIENT THE REPUBLIC OF KOREA (MANAGEMENT: RURAL DEVELOPMENT ADMINISTRATION) (KR) 2017-07-20 US claimed
US-20130190177-A1 AGRICULTURAL AGENT CONTAINING 2,5-DIKETOPIPERAZINE DERIVATIVE AS ACTIVE INGREDIENT Kongju National University Industry- University Cooperation Foundation (KR) 2013-07-25 US claimed
EP-2594134-A2 AGRICULTURAL CHEMICAL CONTAINING 2,5-DIKETOPIPERAZINE DERIVATIVE AS ACTIVE INGREDIENT Republic of Korea (Management: Rural Development Administration) (KR) 2013-05-22 EP claimed
US-20240392220-A1 BRANDY REPLICAS AVA FOOD LABS, INC. 2024-11-28 US disclosed
CN-115792066-B Quantitative screening method and device for heated tobacco leaf raw materials 云南省烟草农业科学研究院 2024-09-10 CN disclosed
EP-4408967-A1 BRANDY REPLICAS AVA FOOD LABS, INC. (US) 2024-08-07 EP disclosed
CN-116751711-A Bacillus atrophaeus LB6-2 and application thereof 新疆农业科学院植物保护研究所 2023-09-15 CN disclosed
CN-116686847-A Metabolite of bacillus atrophaeus LB6-2 and application thereof 新疆农业科学院植物保护研究所 2023-09-05 CN disclosed
CN-116686847-A Metabolite of bacillus atrophaeus LB6-2 and application thereof 新疆农业科学院植物保护研究所 2023-09-05 CN disclosed
WO-2023152569-A1 AGROCHEMICAL ADJUVANTS CRODA INTERNATIONAL PLC (GB) 2023-08-17 WO disclosed
US-20100305182-A1 COMPOUNDS AND METHODS FOR MODULATING COMMUNICATION AND VIRULENCE IN QUORUM SENSING BACTERIA BLACKWELL HELEN E 2010-12-02 US disclosed
US-20100305182-A1 COMPOUNDS AND METHODS FOR MODULATING COMMUNICATION AND VIRULENCE IN QUORUM SENSING BACTERIA BLACKWELL HELEN E 2010-12-02 US disclosed
US-7642285-B2 Compounds and methods for modulating communication and virulence in quorum sensing bacteria WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2010-01-05 US disclosed
US-7642285-B2 Compounds and methods for modulating communication and virulence in quorum sensing bacteria WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2010-01-05 US disclosed
US-20090299103-A1 Reagent for Organic Synthesis and Method of Organic Synthesis Reaction with the Reagent NATIONAL UNIVERSITY CORPORATION, TOKYO UNIVERSITY (JP) 2009-12-03 US disclosed
US-20090299103-A1 Reagent for Organic Synthesis and Method of Organic Synthesis Reaction with the Reagent NATIONAL UNIVERSITY CORPORATION, TOKYO UNIVERSITY (JP) 2009-12-03 US disclosed
EP-2003104-A9 REAGENT FOR ORGANIC SYNTHESIS AND METHOD OF ORGANIC SYNTHESIS REACTION WITH THE REAGENT National University Corporation Tokyo University of Agriculture and Technology (JP) 2009-04-15 EP disclosed
EP-2003104-A2 REAGENT FOR ORGANIC SYNTHESIS AND METHOD OF ORGANIC SYNTHESIS REACTION WITH THE REAGENT National University Corporation Tokyo University of Agriculture and Technology (JP) 2008-12-17 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 (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-20100305182-A1 COMPOUNDS AND METHODS FOR MODULATING COMMUNICATION AND VIRULENCE IN QUORUM SENSING BACTERIA AHCYL1, BPHL, AIP HDAC4 3173/4885HDAC1 3495/4885HDAC6 4367/4885
US-20170204102-A1 AGRICULTURAL AGENT CONTAINING 2,5-DIKETOPIPERAZINE DERIVATIVE AS ACTIVE INGREDIENT HDHD5, DAZAP1, MAPKAPK5 HDAC4 225/4885HDAC1 130/4885HDAC6 402/4885
US-20130190177-A1 AGRICULTURAL AGENT CONTAINING 2,5-DIKETOPIPERAZINE DERIVATIVE AS ACTIVE INGREDIENT HDHD5, DAZAP1, MAPKAPK5 HDAC4 225/4885HDAC1 130/4885HDAC6 402/4885
US-20090299103-A1 Reagent for Organic Synthesis and Method of Organic Synthesis Reaction with the Reagent COASY, OSTC, OGA HDAC4 4448/4885HDAC1 4738/4885HDAC6 4322/4885

“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.