SCHEMBL3209829

SCHEMBL3209829

CC(=O)CCCCCNC(=O)OC(C)(C)C

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.69
MAOA P21397 1/20 0.59
MAOB P27338 1/20 0.59
MEN1 O00255 1/20 0.56
GAA P10253 1/20 0.56
KMT2A Q03164 1/20 0.56
CA1 P00915 6/20 0.55
CA2 P00918 6/20 0.55
CA12 O43570 5/20 0.55
CA9 Q16790 5/20 0.55
CYP3A4 P08684 1/20 0.52
CHRM2 P08172 2/20 0.44
CHRM4 P08173 2/20 0.44
CHRM5 P08912 2/20 0.44
CHRM1 P11229 2/20 0.44
CHRM3 P20309 2/20 0.44
PAOX Q6QHF9 1/20 0.44
ADRA1A P35348 1/20 0.43
EPHX1 P07099 1/20 0.43

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
SCHEMBL7911588 1.00 TDP1 (0.69) TDP1MAOAMAOBMEN1GAA
SCHEMBL16671924 1.00 TDP1 (0.69) TDP1MAOAMAOBMEN1GAA
SCHEMBL17483577 1.00 TDP1 (0.69) TDP1MAOAMAOBMEN1GAA
SCHEMBL19243362 1.00 TDP1 (0.69) TDP1MAOAMAOBMEN1GAA
SCHEMBL3219136 0.98 TDP1 (0.66) TDP1MAOAMAOBMEN1GAA
SCHEMBL5312822 0.93 TDP1 (0.62) TDP1MAOAMAOBMEN1GAA
SCHEMBL5162656 0.89 TDP1 (0.85) TDP1MAOAMAOBMEN1GAA
SCHEMBL134329 0.89 TDP1 (0.85) TDP1MAOAMAOBMEN1GAA
SCHEMBL137629 0.89 TDP1 (0.85) TDP1MAOAMAOBMEN1GAA
SCHEMBL343629 0.89 TDP1 (0.85) TDP1MAOAMAOBMEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024044744-A2 PEROXIREDOXIN 3 INHIBITORS AND METHODS OF USE FOR TREATING CANCER WAKE FOREST UNIVERSITY HEALTH SCIENCES (US) 2024-02-29 WO disclosed
US-9867879-B2 Methods for use of small molecule activators of hem-Y / protoporphyrinogen oxidase (PPO) VANDERBILT UNIVERSITY (US) 2018-01-16 US disclosed
US-9850275-B2 Photolabile linker for the solid-phase synthesis of hydrazides and pyranopyrazoles DANMARKS TEKNISKE UNIVERSITET (DK) 2017-12-26 US disclosed
US-20170246149-A1 COMPOSITIONS AND METHODS FOR TREATING MICROBIAL INFECTIONS VANDERBILT UNIVERSITY 2017-08-31 US disclosed
US-20160213780-A1 METHODS FOR USE OF SMALL MOLECULE ACTIVATORS OF HEM-Y / PROTOPORPHYRINOGEN OXIDASE (PPO) VANDERBILT UNIVERSITY 2016-07-28 US disclosed
US-9371350-B2 Trehalose derivatives and pharmaceutical compositions for treating neurodegenerative diseases POSTECH FOUNDATION (KR) 2016-06-21 US disclosed
US-20150174130-A1 COMPOSITIONS AND METHODS FOR TREATING MICROBIAL INFECTIONS VANDERBILT UNIVERSITY 2015-06-25 US disclosed
US-20150025035-A1 INOSITOL AND TREHALOSE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING NEURODEGENERATIVE DISEASES COMPRISING THE SAME POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) 2015-01-22 US disclosed
WO-2012024363-A2 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRIDAE VIRAL INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-23 WO disclosed
US-8058413-B2 Molecular transporters based on sugar and its analogues and processes for the preparation thereof POSTECH FOUNDATION (KR) 2011-11-15 US disclosed
US-20100261710-A1 HDAC Inhibitors ARQULE, INC. (US) 2010-10-14 US disclosed
US-20100261710-A1 HDAC Inhibitors ARQULE, INC. (US) 2010-10-14 US disclosed
CN-101835778-A Hdac inhibitor ARQULE INC 2010-09-15 CN disclosed
WO-2009026446-A9 HDAC INHIBITORS ARQULE, INC. (US) 2010-03-11 WO disclosed
US-20100048536-A1 Novel Substituted Diaryl Azepine Derivatives as Integrin Ligands GENESTE HERVE 2010-02-25 US disclosed
WO-2009026446-A2 HDAC INHIBITORS ARQULE, INC. (US) 2009-02-26 WO disclosed
US-20040077638-A1 Novel integrin receptor antagonists BASF AKTIENGESELLCHAFT (DE) 2004-04-22 US disclosed
EP-1307443-A2 NOVEL SUBSTITUTED DIARYL AZEPINE DERIVATIVES AS INTEGRIN LIGANDS BASF AKTIENGESELLSCHAFT (DE) 2003-05-07 EP disclosed
WO-2002051810-A2 INTEGRIN RECEPTOR LIGANDS ABBOTT GMBH & CO. KG (DE) 2002-07-04 WO disclosed
WO-2002014320-A2 NOVEL SUBSTITUTED DIARYL AZEPINE DERIVATIVES AS INTEGRIN LIGANDS BASF AKTIENGESELLSCHAFT (DE) 2002-02-21 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 (7 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-20100261710-A1 HDAC Inhibitors HDAC5, HDAC1, HDAC4 TDP1 1200/4885MAOA 1679/4885MAOB 2099/4885
US-20160213780-A1 METHODS FOR USE OF SMALL MOLECULE ACTIVATORS OF HEM-Y / PROTOPORPHYRINOGEN OXIDASE (PPO) PPOX, HCCS, HMOX2 TDP1 4653/4885MAOA 320/4885MAOB 310/4885
US-20100048536-A1 Novel Substituted Diaryl Azepine Derivatives as Integrin Ligands ITGB3, ITGAL, ITGB4 TDP1 4706/4885MAOA 3799/4885MAOB 3870/4885
US-20040077638-A1 Novel integrin receptor antagonists ITGB3, ITGAV, ITGA2B TDP1 4784/4885MAOA 4513/4885MAOB 4490/4885
US-20150025035-A1 INOSITOL AND TREHALOSE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING NEURODEGENERATIVE DISEASES COMPRISING THE SAME HTT, TREH, ITPA TDP1 200/4885MAOA 2060/4885MAOB 1806/4885
US-20150174130-A1 COMPOSITIONS AND METHODS FOR TREATING MICROBIAL INFECTIONS HMOX1, HMOX2, HMBS TDP1 4554/4885MAOA 1336/4885MAOB 968/4885
US-20170246149-A1 COMPOSITIONS AND METHODS FOR TREATING MICROBIAL INFECTIONS HMOX1, HMOX2, HMBS TDP1 4554/4885MAOA 1336/4885MAOB 968/4885

“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.