SCHEMBL4022532

SCHEMBL4022532

CN1CC(=O)N(OC(=O)c2ccccc2)C1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 1/20 0.42
TSHR P16473 3/20 0.42
KMT2A Q03164 7/20 0.40
LMNA P02545 2/20 0.40
MEN1 O00255 2/20 0.40
F2 P00734 1/20 0.40
CHRNA7 P36544 2/20 0.39
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
HTR3A P46098 1/20 0.39
HTR3D Q70Z44 1/20 0.39
HTR3C Q8WXA8 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
CTSG P08311 1/20 0.38
CMA1 P23946 1/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 2/20 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
SCHEMBL4023623 0.85 KMT2A (0.42) TSHRKMT2ALMNAMEN1F2
SCHEMBL4026508 0.85 TSHR (0.40) TSHRKMT2ALMNAMEN1F2
SCHEMBL4028126 0.84 TSHR (0.44) TSHRKMT2ALMNAMEN1F2
SCHEMBL4019343 0.83 F2 (0.41) TSHRKMT2ALMNAMEN1F2
SCHEMBL4024104 0.80 F2 (0.45) TSHRKMT2ALMNAMEN1F2
SCHEMBL4022586 0.77 TSHR (0.47) TSHRKMT2ALMNAMEN1F2
SCHEMBL19309377 0.76 KMT2A (0.53) TSHRKMT2ALMNAF2MAPT
SCHEMBL133554 0.76 KMT2A (0.53) TSHRKMT2ALMNAF2MAPT
SCHEMBL2244576 0.74 POLB (0.34) PLA2G7ALDH1A1
SCHEMBL4027977 0.74 KMT2A (0.43) TSHRKMT2ALMNAMEN1F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100537031-C Processes for production of organic compounds DAICEL CHEM (JP) 2009-09-09 CN disclosed
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-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 (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-20030171618-A1 Process for producing organic compounds using nitrites NOS1, NOS2, NOS3 PLA2G7 3930/4885TSHR 2997/4885KMT2A 3719/4885
US-20070191634-A1 Methods for producing aromatic carboxylic acids PAH, AHR, HAO2 PLA2G7 1824/4885TSHR 2348/4885KMT2A 1551/4885
US-20060030716-A1 Catalyst comprising cyclic acylurea compound and process for producing organic compounds using the catalyst MOGAT2, HAT1, ACOX1 PLA2G7 221/4885TSHR 1875/4885KMT2A 1306/4885
US-20050020439-A1 Catalyst comprising cyclic acylurea compounds and processes for production organic compounds with the same MOGAT2, ACSS2, ACOX1 PLA2G7 231/4885TSHR 1846/4885KMT2A 1623/4885

“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.