SCHEMBL3728300

SCHEMBL3728300

CC(C)(C)OC(=O)/N=C(\N)NC(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
CA12 O43570 3/20 0.33
CA14 Q9ULX7 3/20 0.33
CTSK P43235 2/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
RAB9A P51151 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA7 P43166 2/20 0.33
DGAT1 O75907 1/20 0.32
MIF P14174 1/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31

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
SCHEMBL601561 1.00 MAOA (0.36) MAOAMAOBCA12CA14CTSK
SCHEMBL601562 1.00 MAOA (0.36) MAOAMAOBCA12CA14CTSK
SCHEMBL3808762 0.86 CRBN (0.34) MAOAMAOBCTSKDGAT1
SCHEMBL3808765 0.86 CRBN (0.34) MAOAMAOBCTSKDGAT1
SCHEMBL18421858 0.85 MAOA (0.36) MAOAMAOBCA12CA14CTSK
SCHEMBL4715528 0.85 MAOA (0.36) MAOAMAOBCA12CA14CTSK
SCHEMBL14765111 0.85 MAOA (0.36) MAOAMAOBCA12CA14CTSK
SCHEMBL15324528 0.83 APLNR (0.40) MAOAMAOBCA12CA14CTSK
SCHEMBL6379683 0.80 DGAT1 (0.34) MAOAMAOBCTSKTDP1DGAT1
SCHEMBL3144118 0.80 TDP1 (0.35) CA12CA14NFKB1NFKB2RELA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025101904-A1 NOREPINEPHRINE TRANSPORTER-TARGETED PRODRUGS FOR CANCER THERAPY THE CHILDREN'S HOSPITAL OF PHILADELPHIA (US) 2025-05-15 WO disclosed
US-12234229-B2 Sphingosine kinase inhibitor amidoxime prodrugs UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2025-02-25 US disclosed
WO-2024123663-A1 ANTIMICROBIAL COMPOUNDS SRI INTERNATIONAL (US) 2024-06-13 WO disclosed
CN-118047726-A Ferulic acid ester analogues, preparation method and application thereof 西北大学 2024-05-17 CN disclosed
EP-3189059-B1 THIENOPYRROLES AS HISTONE DEMETHYLASE INHIBITORS ST EUROPEO DI ONCOLOGIA S R L (IT) 2023-02-22 EP disclosed
US-20230050649-A1 SPHINGOSINE KINASE INHIBITOR AMIDOXIME PRODRUGS UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2023-02-16 US disclosed
EP-3341007-B1 MALT1 INHIBITORS AND USES THEREOF UNIV CORNELL (US) 2020-12-23 EP disclosed
US-10111437-B2 Substituted guanidines as fungicides NIPPON SODA CO., LTD. (JP) 2018-10-30 US disclosed
US-20180146677-A1 GUANICIDE COMPOUND AND FUNGICIDE NIPPON SODA CO., LTD. (JP) 2018-05-31 US disclosed
WO-2016156597-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE IN PREVENTING OR TREATING BACTERIAL INFECTIONS MUTABILIS (FR) 2016-10-06 WO disclosed
US-8110574-B2 Derivatives of 4-aminopiperidine and their use as a medicament IPSEN PHARMA S.A.S. (FR) 2012-02-07 US disclosed
US-7935782-B2 Multifunctional degradable nanoparticles with control over size and functionalities VANDERBILT UNIVERSITY (US) 2011-05-03 US disclosed
US-20110059971-A1 DERIVATIVES OF 4-AMINOPIPERIDINE AND THEIR USE AS A MEDICAMENT IPSEN S.A.S. (FR) 2011-03-10 US disclosed
US-7858789-B2 Derivatives of 4-aminopiperidine and their use as a medicament IPSEN PHARMA S.A.S. (FR) 2010-12-28 US disclosed
US-7825279-B2 Fused ring dicationic anti-protozoan agents and their prodrugs THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2010-11-02 US disclosed
US-20090306335-A1 MULTIFUNCTIONAL DEGRADABLE NANOPARTICLES WITH CONTROL OVER SIZE AND FUNCTIONALITIES NATIONAL SCIENCE FOUNDATION 2009-12-10 US disclosed
US-20090149652-A1 Derivatives of 4-aminopiperidine and their use as a medicament SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES 2009-06-11 US disclosed
US-20080221043-A1 Guanidinium compounds for drug delivery VANDERBILT UNIVERSITY 2008-09-11 US disclosed
US-7393861-B2 Derivatives of 4-aminopiperidine and their use as a medicament SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2008-07-01 US disclosed
US-20050165044-A1 Fused ring dicationic anti-protozoan agents and their prodrugs BOYKIN DAVID W (US) 2005-07-28 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 (8 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-12234229-B2 Sphingosine kinase inhibitor amidoxime prodrugs SPHK1, SPHK2, S1PR2 MAOA 2104/4885MAOB 1318/4885CA12 4019/4885
US-20090149652-A1 Derivatives of 4-aminopiperidine and their use as a medicament SSTR4, SSTR3, SSTR1 MAOA 890/4885MAOB 733/4885CA12 4153/4885
US-20180146677-A1 GUANICIDE COMPOUND AND FUNGICIDE GUCY1A2, GUCY1B2, GUCY1A1 MAOA 792/4885MAOB 826/4885CA12 4537/4885
US-10111437-B2 Substituted guanidines as fungicides GUCY1A2, GUCY1B2, GUCY1A1 MAOA 438/4885MAOB 630/4885CA12 4677/4885
US-20230050649-A1 SPHINGOSINE KINASE INHIBITOR AMIDOXIME PRODRUGS SPHK1, SPHK2, S1PR2 MAOA 2104/4885MAOB 1318/4885CA12 4019/4885
US-20110059971-A1 DERIVATIVES OF 4-AMINOPIPERIDINE AND THEIR USE AS A MEDICAMENT SSTR4, SSTR3, SSTR1 MAOA 890/4885MAOB 733/4885CA12 4153/4885
US-20080221043-A1 Guanidinium compounds for drug delivery GMPS, GUCY1A1, GUCY1A2 MAOA 889/4885MAOB 814/4885CA12 3576/4885
US-20050165044-A1 Fused ring dicationic anti-protozoan agents and their prodrugs DHODH, DHFR, PAICS MAOA 4456/4885MAOB 3612/4885CA12 4229/4885

“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.