SCHEMBL1274585

SCHEMBL1274585

CC(C)(C)OC(=O)NCCCNC(NCCCNC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.66
GAA P10253 1/20 0.66
KMT2A Q03164 1/20 0.66
TDP1 Q9NUW8 1/20 0.56
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
CA1 P00915 7/20 0.47
CA2 P00918 7/20 0.47
CA12 O43570 6/20 0.47
CA9 Q16790 6/20 0.47
STK17B O94768 1/20 0.42
STK17A Q9UEE5 1/20 0.42
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
EPHX1 P07099 1/20 0.40
HTT P42858 1/20 0.40
MALT1 Q9UDY8 1/20 0.38
IDO1 P14902 1/20 0.38
CHRM2 P08172 2/20 0.38
CHRM4 P08173 2/20 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
SCHEMBL28230787 0.84 MEN1 (0.62) MEN1GAAKMT2ATDP1MAOA
SCHEMBL569251 0.84 TDP1 (0.74) MEN1GAAKMT2ATDP1MAOA
SCHEMBL15597154 0.83 MEN1 (0.60) MEN1GAAKMT2ATDP1MAOA
SCHEMBL16197667 0.83 MEN1 (0.60) MEN1GAAKMT2ATDP1MAOA
SCHEMBL2402827 0.82 MEN1 (0.64) MEN1GAAKMT2ATDP1MAOA
SCHEMBL31606661 0.81 MEN1 (0.62) MEN1GAAKMT2ATDP1MAOA
SCHEMBL6938487 0.80 MEN1 (0.66) MEN1GAAKMT2ATDP1MAOA
SCHEMBL3020258 0.80 TDP1 (0.81) MEN1GAAKMT2ATDP1MAOA
SCHEMBL25353243 0.80 MEN1 (0.69) MEN1GAAKMT2ATDP1MAOA
SCHEMBL18489848 0.80 MEN1 (0.60) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1828386-B1 AMIDE AND PEPTIDE DERIVATIVES OF DIALKYLENETRIAMINES AND THEIR USE AS TRANSFECTION AGENTS GLAXO GROUP LTD (GB) 2012-08-08 EP disclosed
US-20110045027-A1 Adjuvant GLAXO GROUP LIMITED (GB) 2011-02-24 US disclosed
US-7759519-B2 Amide and peptide derivatives of dialkylenetriamines and their use as transfection agents GLAXO GROUP LIMITED (GB) 2010-07-20 US disclosed
US-20090209472-A1 AMIDE AND PEPTIDE DERIVATIVES OF DIALKYLENETRIAMINES AND THEIR USE AS TRANSFECTION AGENTS GLAXO GROUP LIMITED (GB) 2009-08-20 US disclosed
EP-1828386-A1 AMIDE AND PEPTIDE DERIVATIVES OF DIALKYLENETRIAMINES AND THEIR USE AS TRANSFECTION AGENTS GLAXO GROUP LIMITED (GB) 2007-09-05 EP disclosed
WO-2006053782-A1 AMIDE AND PEPTIDE DERIVATIVES OF DIALKYLENETRIAMINES AND THEIR USE AS TRANSFECTION AGENTS GLAXO GROUP LIMITED (GB) 2006-05-26 WO 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-20110045027-A1 Adjuvant TLR3, TLR9, TLR7 MEN1 4058/4885GAA 2836/4885KMT2A 3326/4885
US-20090209472-A1 AMIDE AND PEPTIDE DERIVATIVES OF DIALKYLENETRIAMINES AND THEIR USE AS TRANSFECTION AGENTS SRM, SMS, DLST MEN1 736/4885GAA 2329/4885KMT2A 1384/4885

“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.