SCHEMBL4040957

SCHEMBL4040957

O=C(NN1C(c2ccccc2)=NOC12CCCC2)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HTT P42858 1/20 0.41
LMNA P02545 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
GAA P10253 1/20 0.34
F2 P00734 1/20 0.34
F12 P00748 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
ADRB2 P07550 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL4215035 0.90 HPGD (0.37) ALDH1A1KDM4ESMN1; SMN2HTTCYP3A4
SCHEMBL4039137 0.89 NPC1 (0.40) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL4046407 0.88 KDM4E (0.39) ALDH1A1KDM4ESMN1; SMN2HTTLMNA
SCHEMBL4224666 0.80 KDM4E (0.39) ALDH1A1KDM4ESMN1; SMN2LMNANPC1
SCHEMBL4215247 0.79 CYP2D6 (0.38) ALDH1A1KDM4ESMN1; SMN2LMNACYP3A4
SCHEMBL15375620 0.77 KDM4E (0.34) ALDH1A1KDM4ESMN1; SMN2LMNACYP3A4
SCHEMBL4042469 0.76 PARP1 (0.43) ALDH1A1KDM4ESMN1; SMN2LMNAGAA
SCHEMBL4043322 0.76 KMT2A (0.39) ALDH1A1ADORA3ADORA2AADORA1MEN1
SCHEMBL4207763 0.72 KMT2A (0.43) ALDH1A1KDM4ESMN1; SMN2HTTLMNA
SCHEMBL4207865 0.72 SMN1; SMN2 (0.41) ALDH1A1SMN1; SMN2HTTLMNACYP3A4

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-9371517-B2 Modified forms of Pseudomonas exotoxin A INTREXON CORPORATION (US) 2016-06-21 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 ALDH1A1 3889/4885KDM4E 1288/4885SMN1; SMN2 4578/4885
US-20170275600-A1 MODIFIED FORMS OF PSEUDOMONAS EXOTOXIN A CD4, CD47, CD14 ALDH1A1 4812/4885KDM4E 2438/4885SMN1; SMN2 4752/4885
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 ALDH1A1 3889/4885KDM4E 1288/4885SMN1; SMN2 4578/4885
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 ALDH1A1 4171/4885KDM4E 931/4885SMN1; SMN2 4430/4885
US-20090149514-A1 OXADIAZOLINE LIGANDS FOR MODULATING THE EXPRESSION OF EXOGENOUS GENES VIA AN ECDYSONE RECEPTOR COMPLEX ESRRB, NR2E3, NR5A1 ALDH1A1 4104/4885KDM4E 3256/4885SMN1; SMN2 4713/4885

“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.