SCHEMBL5516639

SCHEMBL5516639

O=c1c2cc3cc4c(=O)n(O)c(=O)c4cc3cc2c(=O)n1O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 7/20 0.38
CA9 Q16790 7/20 0.38
FEN1 P39748 6/20 0.35
ERCC1 P07992 3/20 0.35
ERCC4 Q92889 3/20 0.35
ERCC5 P28715 2/20 0.35
RNASEH1 O60930 1/20 0.35
KDM4E B2RXH2 4/20 0.35
HTT P42858 3/20 0.34
LMNA P02545 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ATM Q13315 1/20 0.34
POLB P06746 2/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL43657 0.88 KDM4E (0.41) CA12CA9FEN1ERCC1ERCC4
SCHEMBL9361606 0.73
SCHEMBL15159454 0.71 KDM4E (0.42) KDM4EHTTLMNAKMT2AGAA
SCHEMBL12421478 0.69 KDM4E (0.41) KDM4EHTTLMNAKMT2AGAA
SCHEMBL10758453 0.68 MAPK1 (0.61) CA12CA9FEN1KDM4ELMNA
SCHEMBL12310076 0.56 ALDH1A1 (0.36) CA12CA9KDM4EPOLBGAA
SCHEMBL4586117 0.56 KDM4E (0.38) CA12CA9FEN1ERCC1ERCC4
SCHEMBL55119 0.56 SRC (0.42) CA12CA9KDM4ELMNAMEN1
SCHEMBL15680200 0.56 SRC (0.48) KDM4EPOLBGAA
SCHEMBL17789200 0.55 ALDH1A1 (0.44) KDM4EHTTLMNAPOLBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

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

For each of this compound's patents that has machine-readable text (2 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 CA12 1115/4885CA9 534/4885FEN1 2527/4885
US-20050020439-A1 Catalyst comprising cyclic acylurea compounds and processes for production organic compounds with the same MOGAT2, ACSS2, ACOX1 CA12 1233/4885CA9 621/4885FEN1 2668/4885

“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.