SCHEMBL3269756

SCHEMBL3269756

O=c1n(OCc2ccccc2)c(=O)n(OCc2ccccc2)c(=O)n1OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.58
TSHR P16473 3/20 0.58
ALOX15 P16050 1/20 0.53
KDM4E B2RXH2 2/20 0.47
HBB P68871 1/20 0.47
IDO1 P14902 1/20 0.44
AGXT P21549 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
F2 P00734 1/20 0.41
PLG P00747 1/20 0.41
ELANE P08246 1/20 0.41
CTSG P08311 1/20 0.41
CMA1 P23946 1/20 0.41
CTRC Q99895 1/20 0.41

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
SCHEMBL860065 0.79 ALDH1A1 (0.56) ALDH1A1TSHRALOX15KDM4EHBB
SCHEMBL5696335 0.78 ALDH1A1 (0.50) ALDH1A1TSHRALOX15KDM4EHBB
SCHEMBL23788144 0.78 ALDH1A1 (0.62) ALDH1A1TSHRALOX15KDM4EHBB
SCHEMBL4911548 0.76 IDO1 (0.48) ALDH1A1TSHRALOX15KDM4EHBB
SCHEMBL8142544 0.75 ALDH1A1 (0.48) ALDH1A1TSHRALOX15KDM4EHBB
SCHEMBL399970 0.75 MAPK14 (0.52) ALDH1A1TSHRALOX15KDM4EKMT2A
SCHEMBL13386604 0.74 ALDH1A1 (0.55) ALDH1A1TSHRALOX15IDO1
SCHEMBL5225296 0.74 MGLL (0.50) ALDH1A1TSHRALOX15IDO1AGXT
SCHEMBL8151931 0.74 ALDH1A1 (0.50) ALDH1A1TSHRALOX15KDM4EHBB
SCHEMBL24120672 0.74 ALDH1A1 (0.50) ALDH1A1TSHRALOX15KDM4EHBB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1090312-B1 Method for photopolymerizing a monomer mixture to form a lens BAUSCH & LOMB (US) 2010-06-02 EP disclosed
EP-1459804-B1 CATALYSTS COMPRISING CYCLIC ACYLUREA COMPOUNDS AND OXIDATION AND NITRATION REACTIONS OF ORGANIC COMPOUNDS IN THE PRESENCE OF THE SAME DAICEL CHEM (JP) 2010-06-02 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-20060241293-A1 Process for production n,n',n\"- trisubstituted isocyanuric acids DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2006-10-26 US 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
EP-1666470-A1 PROCESS FOR PRODUCTION OF N,N';N''-TRISUBSTITUTED ISOCYANURIC ACIDS Daicel Chemical Industries, Ltd. (JP) 2006-06-07 EP 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20060030716-A1 Catalyst comprising cyclic acylurea compound and process for producing organic compounds using the catalyst MOGAT2, HAT1, ACOX1 ALDH1A1 261/4885TSHR 1875/4885ALOX15 223/4885
US-20060241293-A1 Process for production n,n',n\"- trisubstituted isocyanuric acids NANS, NOS2, FASN ALDH1A1 618/4885TSHR 3872/4885ALOX15 1020/4885
US-20050020439-A1 Catalyst comprising cyclic acylurea compounds and processes for production organic compounds with the same MOGAT2, ACSS2, ACOX1 ALDH1A1 258/4885TSHR 1846/4885ALOX15 241/4885

“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.