SCHEMBL5007882

SCHEMBL5007882

NCCCCNCCCNC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.90

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRM P19623 4/20 0.67
SMS P52788 2/20 0.67
DOT1L Q8TEK3 4/20 0.65
DNMT3B Q9UBC3 2/20 0.65
PRMT7 Q9NVM4 1/20 0.65
DPP4 P27487 1/20 0.64
MEN1 O00255 1/20 0.64
SLC28A1 O00337 1/20 0.64
MAP3K7 O43318 1/20 0.64
SLC28A2 O43868 1/20 0.64
GAPDH P04406 1/20 0.64
ADORA3 P0DMS8 1/20 0.64
MAPK1 P28482 1/20 0.64
ADORA2A P29274 1/20 0.64
ADORA2B P29275 1/20 0.64
ADORA1 P30542 1/20 0.64
STAT6 P42226 1/20 0.64
PI4KA P42356 1/20 0.64
KMT2A Q03164 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64

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
SCHEMBL30760710 0.97 SRM (0.71) SRMSMSDOT1LDNMT3BPRMT7
SCHEMBL996891 0.95 DOT1L (0.68) SRMSMSDOT1LDNMT3BPRMT7
SCHEMBL4184440 0.95 DOT1L (0.68) SRMSMSDOT1LDNMT3BPRMT7
SCHEMBL28374784 0.88 EHMT1 (0.74) DOT1LDPP4MEN1SLC28A1MAP3K7
SCHEMBL13667507 0.88 EHMT1 (0.74) DOT1LDPP4MEN1SLC28A1MAP3K7
SCHEMBL13986406 0.87 ADORA3 (0.73) DOT1LDPP4MEN1SLC28A1MAP3K7
SCHEMBL7062240 0.87 ADORA3 (0.73) DOT1LDPP4MEN1SLC28A1MAP3K7
SCHEMBL7062257 0.87 ADORA3 (0.73) DOT1LDPP4MEN1SLC28A1MAP3K7
SCHEMBL10662761 0.87 DOT1L (0.67) DOT1LDPP4MEN1SLC28A1MAP3K7
SCHEMBL10662747 0.87 DOT1L (0.67) DOT1LDPP4MEN1SLC28A1MAP3K7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7432302-B2 Composition containing polyamine transport inhibitor and use thereof MEDIQUEST THERAPEUTICS, INC. (US) 2008-10-07 US disclosed
US-20050245615-A1 Composition containing polyamine transport inhibitor and use thereof MEDIQUEST THERAPEUTICS, INC. (US) 2005-11-03 US 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-20050245615-A1 Composition containing polyamine transport inhibitor and use thereof SLC7A1, SRM, SLC16A1 SRM 2/4885SMS 13/4885DOT1L 862/4885

“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.