SCHEMBL6734909

SCHEMBL6734909

CC(C)CCNCCNC(=O)OC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.54
GAA P10253 1/20 0.54
KMT2A Q03164 1/20 0.54
TDP1 Q9NUW8 1/20 0.49
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
KCNA5 P22460 1/20 0.45
EPHX1 P07099 1/20 0.44
MALT1 Q9UDY8 1/20 0.42
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA12 O43570 2/20 0.41
CA9 Q16790 2/20 0.41
CA7 P43166 1/20 0.40
CTSS P25774 2/20 0.39
CTSK P43235 2/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL1977051 0.90 MEN1 (0.59) MEN1GAAKMT2ATDP1MAOA
SCHEMBL397759 0.89 MEN1 (0.61) MEN1GAAKMT2ATDP1MAOA
SCHEMBL19658204 0.87 MEN1 (0.49) MEN1GAAKMT2ATDP1MAOA
SCHEMBL631719 0.87 TDP1 (0.60) MEN1GAAKMT2ATDP1MAOA
SCHEMBL20801639 0.87 TDP1 (0.60) MEN1GAAKMT2ATDP1MAOA
SCHEMBL9998912 0.87 TDP1 (0.60) MEN1GAAKMT2ATDP1MAOA
SCHEMBL18251805 0.85 MEN1 (0.58) MEN1GAAKMT2ATDP1MAOA
SCHEMBL9354709 0.84 MEN1 (0.51) MEN1GAAKMT2ATDP1MAOA
SCHEMBL14405152 0.82 MEN1 (0.72) MEN1GAAKMT2ATDP1MAOA
SCHEMBL16742485 0.81 MEN1 (0.53) MEN1GAAKMT2ATDP1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6683200-B2 N-SUBSTITUTED-N'-SUBSTITUTED UREA DERIVATIVE IS USED AS A TUMOR NECROSIS FACTOR-ALPHA PRODUCTION INHIBITORY AGENT AND A THERAPEUTICAL AGENT FOR AUTOIMMUNE DISEASES SANTEN PHARMACEUTICAL CO., LTD. (JP) 2004-01-27 US disclosed
US-20020068763-A1 N-substituted-N'-substituted urea derivatives and pharmaceutical compositions containing the derivatives SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-06-06 US disclosed
EP-1172358-A1 N-SUBSTITUTED-N'-SUBSTITUTED UREA DERIVATIVE AND MEDICINAL COMPOSITIONS CONTAINING THE SAME SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-01-16 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 (1 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-20020068763-A1 N-substituted-N'-substituted urea derivatives and pharmaceutical compositions containing the derivatives TNF, NFKBIA, UMPS MEN1 4072/4885GAA 324/4885KMT2A 4854/4885

“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.