SCHEMBL4320879

SCHEMBL4320879

O=C1NC(Cc2ccc(O)cc2)C(=O)N2CCCC12

nearest known ligand 0.76

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 3/20 0.58
HDAC1 Q13547 2/20 0.58
SMN1; SMN2 Q16637 1/20 0.56
HDAC3 O15379 1/20 0.54
HDAC7 Q8WUI4 1/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC10 Q969S8 1/20 0.54
HDAC11 Q96DB2 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
HDAC9 Q9UKV0 1/20 0.54
HDAC5 Q9UQL6 1/20 0.54

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
SCHEMBL22286471 1.00 HDAC4 (0.58) HDAC4HDAC1SMN1; SMN2HDAC3HDAC7
SCHEMBL12035399 1.00 HDAC4 (0.58) HDAC4HDAC1SMN1; SMN2HDAC3HDAC7
SCHEMBL17866901 1.00 HDAC4 (0.58) HDAC4HDAC1SMN1; SMN2HDAC3HDAC7
SCHEMBL4320872 1.00 HDAC4 (0.58) HDAC4HDAC1SMN1; SMN2HDAC3HDAC7
SCHEMBL17867032 0.96 HDAC4 (0.55) HDAC4HDAC1SMN1; SMN2HDAC3HDAC7
SCHEMBL30423206 0.96 HDAC1 (0.57) HDAC4HDAC1SMN1; SMN2HDAC3HDAC7
SCHEMBL24614249 0.94 HDAC4 (0.64) HDAC4HDAC1HDAC3HDAC7HDAC2
SCHEMBL17866704 0.90 HDAC4 (0.54) HDAC4
SCHEMBL31237781 0.87 HDAC4 (0.57) HDAC4HDAC1HDAC3HDAC7HDAC2
SCHEMBL12035758 0.87 HDAC4 (0.58) HDAC4HDAC1SMN1; SMN2HDAC3HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-10877035-B2 Advanced drug development and manufacturing ICAGEN, LLC (US) 2020-12-29 US disclosed
US-20190309289-A1 PROCESSES AND HOST CELLS FOR GENOME, PATHWAY, AND BIOMOLECULAR ENGINEERING ENEVOLV, INC. 2019-10-10 US disclosed
US-10370654-B2 Processes and host cells for genome, pathway, and biomolecular engineering ENEVOLV, INC. (US) 2019-08-06 US disclosed
US-20180320170-A1 PROCESSES AND HOST CELLS FOR GENOME, PATHWAY, AND BIOMOLECULAR ENGINEERING ENEVOLV, INC. 2018-11-08 US disclosed
US-9944925-B2 Processes and host cells for genome, pathway, and biomolecular engineering ENEVOLV, INC. 2018-04-17 US disclosed
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 disclosed
US-20160186168-A1 PROCESSES AND HOST CELLS FOR GENOME, PATHWAY, AND BIOMOLECULAR ENGINEERING ENEVOLV, INC. 2016-06-30 US disclosed
US-20150309021-A1 Advanced Drug Development and Manufacturing LOS ALAMOS NATIONAL SECURITY, LLC 2015-10-29 US disclosed
EP-2084519-B1 X-RAY FLUORESCENCE ANALYSIS METHOD LOS ALAMOS NAT SECURITY LLC (US) 2012-08-01 EP 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
EP-2084519-A2 ADVANCED DRUG DEVELOPMENT AND MANUFACTURING Los Alamos National Security, LLC (US) 2009-08-05 EP disclosed
WO-2008127291-A2 ADVANCED DRUG DEVELOPMENT AND MANUFACTURING LOS ALAMOS NATIONAL SECURITY, LLC (US) 2008-10-23 WO disclosed
US-20080220441-A1 Advanced drug development and manufacturing THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2008-09-11 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 (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-20100305182-A1 COMPOUNDS AND METHODS FOR MODULATING COMMUNICATION AND VIRULENCE IN QUORUM SENSING BACTERIA AHCYL1, BPHL, AIP HDAC4 3173/4885HDAC1 3495/4885SMN1; SMN2 4851/4885
US-20170204102-A1 AGRICULTURAL AGENT CONTAINING 2,5-DIKETOPIPERAZINE DERIVATIVE AS ACTIVE INGREDIENT HDHD5, DAZAP1, MAPKAPK5 HDAC4 225/4885HDAC1 130/4885SMN1; SMN2 3680/4885
US-20130190177-A1 AGRICULTURAL AGENT CONTAINING 2,5-DIKETOPIPERAZINE DERIVATIVE AS ACTIVE INGREDIENT HDHD5, DAZAP1, MAPKAPK5 HDAC4 225/4885HDAC1 130/4885SMN1; SMN2 3680/4885

“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.