SCHEMBL4026599

SCHEMBL4026599

O=C(ON1C(=O)NCNC1=O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.45
LMNA P02545 1/20 0.45
TSHR P16473 3/20 0.42
KMT2A Q03164 9/20 0.41
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TDP1 Q9NUW8 2/20 0.39
TP53 P04637 1/20 0.39
MAPK1 P28482 2/20 0.39
MEN1 O00255 2/20 0.39
CHRNA7 P36544 1/20 0.38
HIF1A Q16665 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A3 Q01959 1/20 0.38
GAA P10253 1/20 0.37

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
SCHEMBL4020526 0.83 F2 (0.42) F2LMNATSHRKMT2AMAPT
SCHEMBL4021102 0.80 KMT2A (0.42) F2LMNATSHRKMT2AMAPT
SCHEMBL4025016 0.80 LMNA (0.47) F2LMNATSHRKMT2AMAPT
SCHEMBL19309377 0.78 KMT2A (0.53) F2LMNATSHRKMT2AMAPT
SCHEMBL133554 0.78 KMT2A (0.53) F2LMNATSHRKMT2AMAPT
SCHEMBL1232166 0.76 LMNA (0.50) F2LMNATSHRKMT2AMAPT
SCHEMBL4024104 0.75 F2 (0.45) F2LMNATSHRKMT2AMAPT
SCHEMBL491136 0.74 ALDH1A1 (0.57) F2LMNATSHRKMT2AMAPT
SCHEMBL4029505 0.74 LMNA (0.48) F2LMNATSHRKMT2AMAPT
SCHEMBL4023620 0.73 KMT2A (0.40) F2LMNATSHRKMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7524986-B2 Methods for producing aromatic carboxylic acids DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2009-04-28 US 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-7034184-B2 Process for producing azine compounds and oxime compounds DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2006-04-25 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-1342714-B1 Process for producing azine compounds and oxime compounds DAICEL CHEM (JP) 2005-01-26 EP 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-20030204084-A1 Process for producing azine compounds and oxime compounds DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2003-10-30 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
EP-1342714-A1 Process for producing azine compounds and oxime compounds 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-20030204084-A1 Process for producing azine compounds and oxime compounds CBR1, DAO, ALKBH2 F2 1262/4885LMNA 3050/4885TSHR 198/4885
US-20030171618-A1 Process for producing organic compounds using nitrites NOS1, NOS2, NOS3 F2 1189/4885LMNA 2540/4885TSHR 2997/4885
US-20070191634-A1 Methods for producing aromatic carboxylic acids PAH, AHR, HAO2 F2 515/4885LMNA 3635/4885TSHR 2348/4885
US-20060030716-A1 Catalyst comprising cyclic acylurea compound and process for producing organic compounds using the catalyst MOGAT2, HAT1, ACOX1 F2 2513/4885LMNA 4250/4885TSHR 1875/4885
US-20050020439-A1 Catalyst comprising cyclic acylurea compounds and processes for production organic compounds with the same MOGAT2, ACSS2, ACOX1 F2 2558/4885LMNA 4215/4885TSHR 1846/4885

“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.