SCHEMBL2237668

SCHEMBL2237668

CN1C(=O)N(O)C(=O)N(C)N1C

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.32
GSK3A P49840 1/20 0.32
GSK3B P49841 1/20 0.32
MGLL Q99685 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
SCHEMBL15247796 0.71
SCHEMBL2239140 0.67 KMT2A (0.32) ADRA2C
SCHEMBL16660165 0.67
SCHEMBL2239480 0.64 POLB (0.38)
SCHEMBL2238464 0.57
SCHEMBL43426 0.56
SCHEMBL2601688 0.55
SCHEMBL1592554 0.54 ALDH1A1 (0.39)
SCHEMBL10746679 0.52 ADRA2C (0.56) ADRA2C
SCHEMBL12880323 0.52 FEN1 (0.41) GSK3AGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7994330-B2 Oxidizing p-xylene to terephthalic acid using a catalyst having a dicarboximide skeleton; hydrothermally treating the product with hot water, decomposing and removing catalyst impurities DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2011-08-09 US disclosed
US-7524986-B2 Methods for producing aromatic carboxylic acids DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2009-04-28 US disclosed
US-20080171881-A1 Method for Producing Organic Compound and Method for Decomposing Compound Having Dicarboximide Skeleton DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2008-07-17 US disclosed
EP-1870394-A1 METHOD FOR PRODUCING ORGANIC COMPOUND AND METHOD FOR DECOMPOSING COMPOUND HAVING DICARBOXYIMIDE SKELETON Daicel Chemical Industries, Ltd. (JP) 2007-12-26 EP disclosed
US-7288649-B2 Catalyst comprising cyclic acylurea compound and process for producing organic compounds using the catalyst DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2007-10-30 US disclosed
US-20070191634-A1 Methods for producing aromatic carboxylic acids DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2007-08-16 US disclosed
EP-1734029-A1 PROCESS FOR PRODUCING AROMATIC CARBOXYLIC ACID Daicel Chemical Industries, Ltd. (JP) 2006-12-20 EP disclosed
EP-1342715-B1 Process for producing oximes using nitirites DAICEL CHEM (JP) 2006-09-13 EP disclosed
US-7091342-B2 Catalyst comprising cyclic acylurea compounds and processes for production organic compounds with the same DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2006-08-15 US disclosed
US-20060030716-A1 Catalyst comprising cyclic acylurea compound and process for producing organic compounds using the catalyst ISHII YASUTAKA 2006-02-09 US disclosed
US-20050020439-A1 Catalyst comprising cyclic acylurea compounds and processes for production organic compounds with the same DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2005-01-27 US disclosed
EP-1459804-A1 CATALYSTS COMPRISING CYCLIC ACYLUREA COMPOUNDS AND PROCESSES FOR PRODUCTION OF ORGANIC COMPOUNDS WITH THE SAME Daicel Chemical Industries, Ltd. (JP) 2004-09-22 EP 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
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-20030171618-A1 Process for producing organic compounds using nitrites NOS1, NOS2, NOS3 ADRA2C 945/4885GSK3A 3546/4885GSK3B 3532/4885
US-20080171881-A1 Method for Producing Organic Compound and Method for Decomposing Compound Having Dicarboximide Skeleton DHPS, OGDH, MCCC2 ADRA2C 4292/4885GSK3A 1623/4885GSK3B 1206/4885
US-20070191634-A1 Methods for producing aromatic carboxylic acids PAH, AHR, HAO2 ADRA2C 994/4885GSK3A 2890/4885GSK3B 3020/4885
US-20060030716-A1 Catalyst comprising cyclic acylurea compound and process for producing organic compounds using the catalyst MOGAT2, HAT1, ACOX1 ADRA2C 3202/4885GSK3A 3635/4885GSK3B 3548/4885
US-20050020439-A1 Catalyst comprising cyclic acylurea compounds and processes for production organic compounds with the same MOGAT2, ACSS2, ACOX1 ADRA2C 3027/4885GSK3A 3518/4885GSK3B 3442/4885

“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.