SCHEMBL4042214

SCHEMBL4042214

NN=C1Cc2ccccc2C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.43
HTR2A P28223 2/20 0.37
CYP2A6 P11509 1/20 0.37
DRD2 P14416 1/20 0.36
DRD1 P21728 1/20 0.36
DRD4 P21917 1/20 0.36
DRD5 P21918 1/20 0.36
DRD3 P35462 1/20 0.36
ANPEP P15144 5/20 0.35
TSHR P16473 2/20 0.35
MAOA P21397 2/20 0.35
MAOB P27338 1/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HTR2C P28335 1/20 0.33
HRH1 P35367 1/20 0.33
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL4220274 0.85 CYP2A6 (0.46) CYP1A2HTR2ACYP2A6DRD2DRD1
SCHEMBL4285081 0.77 CYP1A2 (0.48) CYP1A2HTR2ACYP2A6DRD2DRD1
SCHEMBL12690128 0.72 CYP1A2 (0.43) CYP1A2HTR2ACYP2A6DRD2DRD1
SCHEMBL29392481 0.72 CYP1A2 (0.43) CYP1A2CYP2A6DRD2DRD1DRD4
SCHEMBL5190200 0.72 CYP1A2 (0.43) CYP1A2CYP2A6DRD2DRD1DRD4
SCHEMBL29881712 0.71
SCHEMBL109650 0.71 CYP1A2 (0.62) CYP1A2HTR2ACYP2A6DRD2DRD1
SCHEMBL22081972 0.71 CYP1A2 (0.62) CYP1A2HTR2ACYP2A6DRD2DRD1
SCHEMBL1525601 0.71
Hydrochloric Acid SCHEMBL11399645 0.70 IDO1 (0.40) CYP1A2HTR2ACYP2A6DRD2DRD1

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
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-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-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
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
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-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-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-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
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
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 CYP1A2 2167/4885HTR2A 2773/4885CYP2A6 1405/4885
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 CYP1A2 2167/4885HTR2A 2773/4885CYP2A6 1405/4885
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 CYP1A2 2967/4885HTR2A 1780/4885CYP2A6 1528/4885
US-20090149514-A1 OXADIAZOLINE LIGANDS FOR MODULATING THE EXPRESSION OF EXOGENOUS GENES VIA AN ECDYSONE RECEPTOR COMPLEX ESRRB, NR2E3, NR5A1 CYP1A2 2019/4885HTR2A 2264/4885CYP2A6 2063/4885

“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.