SCHEMBL4040563

SCHEMBL4040563

O/N=C(/Cl)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 5/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
EPHX2 P34913 2/20 0.42
MAPT P10636 1/20 0.42
TRPV1 Q8NER1 3/20 0.41
TLR7 Q9NYK1 1/20 0.40
FAAH O00519 1/20 0.40

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
SCHEMBL4040566 1.00 GRIN2B (0.44) GRIN2BNPC1RAB9AEPHX2MAPT
SCHEMBL13736057 1.00 GRIN2B (0.44) GRIN2BNPC1RAB9AEPHX2MAPT
SCHEMBL13733945 0.79 KAT6A (0.43) GRIN2B
SCHEMBL13733944 0.79 KAT6A (0.43) GRIN2B
SCHEMBL9799516 0.78 GRIN2B (0.46) GRIN2BNPC1RAB9AEPHX2MAPT
SCHEMBL9799525 0.77 ALDH1A1 (0.53) GRIN2BNPC1RAB9AEPHX2MAPT
SCHEMBL15593089 0.77 GRIN2B (0.44) GRIN2BNPC1RAB9AEPHX2MAPT
SCHEMBL2323018 0.77 GRIN2B (0.58) GRIN2BRAB9A
SCHEMBL9799529 0.77 ALDH1A1 (0.53) GRIN2BNPC1RAB9AEPHX2MAPT
SCHEMBL2706137 0.77 GRIN2B (0.58) GRIN2BRAB9A

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 11 patents. 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 disclosed
US-8669072-B2 Oxadiazoline ligands for modulating the expression of exogenous genes via an ecdysone receptor complex INTREXON CORPORATION (US) 2014-03-11 US disclosed
EP-1601354-B1 OXADIAZOLINE LIGANDS FOR MODULATING THE EXPRESSION OF EXOGENOUS GENES VIA AN ECDYSONE RECEPTOR COMPLEX INTREXON CORP (US) 2013-11-13 EP disclosed
EP-1601354-A4 OXADIAZOLINE LIGANDS FOR MODULATING THE EXPRESSION OF EXOGENOUS GENES VIA AN ECDYSONE RECEPTOR COMPLEX INTREXON CORP (US) 2009-08-12 EP disclosed
US-20090149514-A1 OXADIAZOLINE LIGANDS FOR MODULATING THE EXPRESSION OF EXOGENOUS GENES VIA AN ECDYSONE RECEPTOR COMPLEX INTREXON CORPORATION 2009-06-11 US disclosed
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 disclosed
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 disclosed
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 disclosed
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 disclosed
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 disclosed
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 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 (4 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 GRIN2B 3500/4885NPC1 3407/4885RAB9A 4812/4885
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 GRIN2B 3500/4885NPC1 3407/4885RAB9A 4812/4885
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 GRIN2B 2033/4885NPC1 3632/4885RAB9A 4810/4885
US-20090149514-A1 OXADIAZOLINE LIGANDS FOR MODULATING THE EXPRESSION OF EXOGENOUS GENES VIA AN ECDYSONE RECEPTOR COMPLEX ESRRB, NR2E3, NR5A1 GRIN2B 1854/4885NPC1 4118/4885RAB9A 4760/4885

“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.