SCHEMBL4047776

SCHEMBL4047776

Cc1cc(C)cc(/C=N/O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.48
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
ACHE P22303 1/20 0.41
ALDH1A1 P00352 6/20 0.40
KDM4E B2RXH2 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPC1 O15118 3/20 0.39
CASP3 P42574 2/20 0.39
SENP8 Q96LD8 2/20 0.39
SENP7 Q9BQF6 2/20 0.39
SENP6 Q9GZR1 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
RAB9A P51151 2/20 0.39
FGF23 Q9GZV9 3/20 0.38
KMT2A Q03164 2/20 0.38
MAPK1 P28482 2/20 0.38
GAA P10253 2/20 0.38
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 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
SCHEMBL2161647 1.00 HTT (0.48) HTTMAPTHPGDACHEALDH1A1
SCHEMBL2161643 1.00 HTT (0.48) HTTMAPTHPGDACHEALDH1A1
SCHEMBL2443595 0.84 HTT (0.41) HTTMAPTHPGDACHEALDH1A1
SCHEMBL2161807 0.84 HTT (0.41) HTTMAPTHPGDACHEALDH1A1
SCHEMBL28030318 0.84 HTT (0.41) HTTMAPTHPGDACHEALDH1A1
SCHEMBL25370071 0.84 HTT (0.41) HTTMAPTHPGDACHEALDH1A1
SCHEMBL2161810 0.84 HTT (0.41) HTTMAPTHPGDACHEALDH1A1
SCHEMBL2443599 0.84 HTT (0.41) HTTMAPTHPGDACHEALDH1A1
SCHEMBL28618775 0.80 HTT (0.52) HTTMAPTHPGDACHEALDH1A1
SCHEMBL5206783 0.80 TPMT (0.57) HTTMAPTALDH1A1KDM4EL3MBTL1

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
EP-2906553-B1 OREXIN RECEPTOR ANTAGONISTS WHICH ARE [ORTHO BI (HETERO )ARYL]-[2-(META BI (HETERO)ARYL)-PYRROLIDIN-1-YL]-METHANONE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2019-06-26 EP disclosed
US-9493446-B2 Orexin receptor antagonists which are [ortho bi-(hetero-)aryl]-[2-(meta bi-(hetero-)aryl)-pyrrolidin-1-yl]-methanone derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2016-11-15 US disclosed
US-20150252032-A1 OREXIN RECEPTOR ANTAGONISTS WHICH ARE [ORTHO BI-(HETERO-)ARYL]-[2-(META BI-(HETERO-)ARYL)-PYRROLIDIN-1-YL]-METHANONE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2015-09-10 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
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
CN-100488921-C Process for producing organic compound using nitrite DAICEI CHEMICAL IND LTD (JP) 2009-05-20 CN disclosed
CN-101316852-A Inhibitors of serine proteases VERTEX PHARMA (US) 2008-12-03 CN 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-1342715-B1 Process for producing oximes using nitirites DAICEL CHEM (JP) 2006-09-13 EP 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
US-6768023-B2 REACTING AN ESTER OR SALT OF NITROUS ACID WITH A COMPOUND THAT GENERATES A FREE RADICAL IN THE PRESENCE OF A NITROGEN CONTAINING CYCLIC COMPOUND CONTAINING AN N-OXY OR -HYDROXY IMIDE GROUP; FORMING OXIMES, NITRO COMPOUNDS, AND KETONES DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2004-07-27 US disclosed
CN-1443734-A Process for producing organic compound using nitrite DAICEI CHEMICAL IND LTD (JP) 2003-09-24 CN disclosed
US-20030171618-A1 Process for producing organic compounds using nitrites DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2003-09-11 US disclosed
EP-1342715-A2 Process for producing oximes using nitirites Daicel Chemical Industries, Ltd. (JP) 2003-09-10 EP 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 HTT 4866/4885MAPT 4826/4885HPGD 1199/4885
US-20030171618-A1 Process for producing organic compounds using nitrites NOS1, NOS2, NOS3 HTT 2760/4885MAPT 3597/4885HPGD 27/4885
US-20150252032-A1 OREXIN RECEPTOR ANTAGONISTS WHICH ARE [ORTHO BI-(HETERO-)ARYL]-[2-(META BI-(HETERO-)ARYL)-PYRROLIDIN-1-YL]-METHANONE DERIVATIVES HCRTR2, HCRTR1, OXTR HTT 710/4885MAPT 1208/4885HPGD 1155/4885
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 HTT 4856/4885MAPT 4881/4885HPGD 1634/4885
US-20090149514-A1 OXADIAZOLINE LIGANDS FOR MODULATING THE EXPRESSION OF EXOGENOUS GENES VIA AN ECDYSONE RECEPTOR COMPLEX ESRRB, NR2E3, NR5A1 HTT 4868/4885MAPT 4882/4885HPGD 996/4885

“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.