SCHEMBL4042469

SCHEMBL4042469

CCOC(=O)CCC(=O)NN1C(c2ccccc2)=NOC12CCCC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.43
ALDH1A1 P00352 3/20 0.40
LMNA P02545 3/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
FAAH O00519 2/20 0.37
AURKA O14965 1/20 0.37
AURKB Q96GD4 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
KDM4E B2RXH2 1/20 0.36
S1PR4 O95977 1/20 0.36
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.36
S1PR1 P21453 1/20 0.36
MAPK1 P28482 1/20 0.36
STAT3 P40763 1/20 0.36
STAT1 P42224 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL4282711 0.74 TSPO (0.43) ALDH1A1LMNAGAAL3MBTL1SMN1; SMN2
SCHEMBL4218755 0.72 ALDH1A1 (0.35) ALDH1A1LMNAGAASMN1; SMN2KMT2A
SCHEMBL4216613 0.71 GRIN1 (0.45) ALDH1A1LMNAGAAL3MBTL1SMN1; SMN2
SCHEMBL4049977 0.70 KDM4E (0.43) ALDH1A1GAAL3MBTL1SMN1; SMN2KMT2A
Succinic Acid Diethyl Ester SCHEMBL27940678 0.68 SMN1; SMN2 (0.62) PARP1ALDH1A1LMNASMN1; SMN2KMT2A
Biphenyl SCHEMBL27737000 0.64 SMN1; SMN2 (0.57) PARP1ALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL5592685 0.63 MAPT (0.63) PARP1ALDH1A1LMNAGAAL3MBTL1
SCHEMBL4218839 0.63 ADORA2A (0.43) PARP1ALDH1A1SMN1; SMN2
SCHEMBL17532619 0.63 PARP1 (0.54) PARP1ALDH1A1LMNAL3MBTL1AURKA
SCHEMBL8485288 0.62 GAA (0.51) ALDH1A1LMNAGAAL3MBTL1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895306-B2 Oxadiazoline ligands for modulating the expression of exogenous genes via an ecdysone receptor complex INTREXON CORPORATION (US) 2014-11-25 US claimed
US-8669072-B2 Oxadiazoline ligands for modulating the expression of exogenous genes via an ecdysone receptor complex INTREXON CORPORATION (US) 2014-03-11 US claimed
EP-1601354-B1 OXADIAZOLINE LIGANDS FOR MODULATING THE EXPRESSION OF EXOGENOUS GENES VIA AN ECDYSONE RECEPTOR COMPLEX INTREXON CORP (US) 2013-11-13 EP claimed
EP-1601354-A4 OXADIAZOLINE LIGANDS FOR MODULATING THE EXPRESSION OF EXOGENOUS GENES VIA AN ECDYSONE RECEPTOR COMPLEX INTREXON CORP (US) 2009-08-12 EP claimed
US-20090149514-A1 OXADIAZOLINE LIGANDS FOR MODULATING THE EXPRESSION OF EXOGENOUS GENES VIA AN ECDYSONE RECEPTOR COMPLEX INTREXON CORPORATION 2009-06-11 US claimed
US-20080255210-A1 1-Benzyl-3-[3-(3,5-dimethyl-phenyl)-5,5-dimethyl-[1,2,4]oxadiazol-4-yl]-urea; nuclear receptor-based inducible gene expression system HORMANN ROBERT EUGENE 2008-10-16 US claimed
US-20070287731-A1 1-Benzyl-3-[3-(3,5-dimethyl-phenyl)-5,5-dimethyl-[1,2,4]oxadiazol-4-yl]-urea; nuclear receptor-based inducible gene expression system RHEOGENE, INC. (DE CORPORATION) 2007-12-13 US claimed
US-7304162-B2 Regulating and tailoring expression levels; such as N-[3-(4-chloro-phenyl)-5,5-dimethyl-[1,2,4]oxadiazol-4-yl]-3-ethyl-benzamide INTREXON CORPORATION (US) 2007-12-04 US claimed
EP-1601354-A2 OXADIAZOLINE LIGANDS FOR MODULATING THE EXPRESSION OF EXOGENOUS GENES VIA AN ECDYSONE RECEPTOR COMPLEX RheoGene Holdings Inc. (US) 2005-12-07 EP claimed
WO-2005017126-A2 OXADIAZOLINE LIGANDS FOR MODULATING THE EXPRESSION OF EXOGENOUS GENES VIA AN ECDYSONE RECEPTOR COMPLEX RHEOGENE HOLDINGS, INC. (US) 2005-02-24 WO claimed
US-20040171651-A1 Regulating and tailoring expression levels; such as N-[3-(4-chloro-phenyl)-5,5-dimethyl-[1,2,4]oxadiazol-4-yl]-3-ethyl-benzamide RHEOGENE, INC. (DE CORPORATION) 2004-09-02 US claimed
US-20170275600-A1 MODIFIED FORMS OF PSEUDOMONAS EXOTOXIN A INTREXON CORPORATION (US) 2017-09-28 US disclosed
US-9677055-B2 Modified forms of Pseudomonas exotoxin A INTERXON CORPORATION (US) 2017-06-13 US disclosed
US-20170037386-A1 MODIFIED FORMS OF PSEUDOMONAS EXOTOXIN A INTREXON CORPORATION (US) 2017-02-09 US disclosed
US-9447387-B2 Modified forms of pseudomonas exotoxin A INTREXON CORPORATION (US) 2016-09-20 US disclosed
US-20160108377-A1 MODIFIED FORMS OF PSEUDOMONAS EXOTOXIN A INTREXON CORPORATION (US) 2016-04-21 US disclosed
US-20150291941-A1 MODIFIED FORMS OF PSEUDOMONAS EXOTOXIN A INTREXON CORPORATION (US) 2015-10-15 US disclosed
US-8932586-B2 Modified forms of Pseudomonas exotoxin A INTREXON CORPORATION (US) 2015-01-13 US disclosed
US-20130121983-A1 Modified Forms of Pseudomonas Exotoxin A INTREXON CORPORATION (US) 2013-05-16 US disclosed
WO-2013036574-A1 MODIFIED FORMS OF PSEUDOMONAS EXOTOXIN A INTREXON CORPORATION (US) 2013-03-14 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 (5 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-20070287731-A1 1-Benzyl-3-[3-(3,5-dimethyl-phenyl)-5,5-dimethyl-[1,2,4]oxadiazol-4-yl]-urea; nuclear receptor-based inducible gene expression system NR0B1, NR0B2, NR5A2 PARP1 4690/4885ALDH1A1 3889/4885LMNA 2766/4885
US-20170275600-A1 MODIFIED FORMS OF PSEUDOMONAS EXOTOXIN A CD4, CD47, CD14 PARP1 3424/4885ALDH1A1 4812/4885LMNA 3791/4885
US-20080255210-A1 1-Benzyl-3-[3-(3,5-dimethyl-phenyl)-5,5-dimethyl-[1,2,4]oxadiazol-4-yl]-urea; nuclear receptor-based inducible gene expression system NR0B1, NR0B2, NR5A2 PARP1 4690/4885ALDH1A1 3889/4885LMNA 2766/4885
US-20040171651-A1 Regulating and tailoring expression levels; such as N-[3-(4-chloro-phenyl)-5,5-dimethyl-[1,2,4]oxadiazol-4-yl]-3-ethyl-benzamide NR2E3, ESRRB, NR0B2 PARP1 4486/4885ALDH1A1 4171/4885LMNA 2416/4885
US-20090149514-A1 OXADIAZOLINE LIGANDS FOR MODULATING THE EXPRESSION OF EXOGENOUS GENES VIA AN ECDYSONE RECEPTOR COMPLEX ESRRB, NR2E3, NR5A1 PARP1 4852/4885ALDH1A1 4104/4885LMNA 4204/4885

“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.