SCHEMBL13004656

SCHEMBL13004656

NCCCNCCCCNC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)NCCCCNCCCN)CC(=O)O)CC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 15/20 0.46
CA1 P00915 14/20 0.46
CA4 P22748 8/20 0.46
CA12 O43570 5/20 0.46
CA9 Q16790 5/20 0.46
TDP1 Q9NUW8 2/20 0.46
ALOX15 P16050 2/20 0.46
CYP2C19 P33261 2/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
CHRM2 P08172 1/20 0.46
ADRA2A P08913 1/20 0.46
TSHR P16473 1/20 0.46
DRD1 P21728 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
ADRA1A P35348 1/20 0.46
DRD3 P35462 1/20 0.46
BLM P54132 1/20 0.46
PMP22 Q01453 1/20 0.46

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
SCHEMBL19262245 0.94 TDP1 (0.52) CA2CA1CA4CA12CA9
SCHEMBL16518383 0.89 CA1 (0.39) CA2CA1CA4CA12CA9
SCHEMBL9393098 0.87 CA1 (0.41) CA2CA1CA4CA12CA9
SCHEMBL15159307 0.87 CA1 (0.45) CA2CA1CA4CA12CA9
SCHEMBL15159311 0.85 CA1 (0.42) CA2CA1CA4CA12CA9
Hydrochloric Acid SCHEMBL8911995 0.84 CA1 (0.43) CA2CA1CA4CA12CA9
SCHEMBL21539283 0.84 TDP1 (0.56) CA2CA1CA4CA12CA9
SCHEMBL15499780 0.84 TDP1 (0.56) CA2CA1CA4CA12CA9
SCHEMBL8719328 0.84 TDP1 (0.56) CA2CA1CA4CA12CA9
SCHEMBL9394285 0.84 PAOX (0.50) CA2CA1CA4CA12CA9

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-8961927-B2 Agents for magnetic imaging method BRACCO IMAGING S.P.A. (IT) 2015-02-24 US disclosed
US-20100311962-A1 Agents For Magnetic Imaging Method BRACCO IMAGING S.P.A. (IT) 2010-12-09 US disclosed
US-7780952-B2 Distinguish between tumor cells and normal cells using novel contrast agents that contain a Magnetic Resonance Imaging (MRI) detectable moiety bound, optionally through a spacer, to a (pseudo)nutrient such as glucose, a natural or unnatural amino acid such as agmatine, or a polyamine such as spermidine BRACCO IMAGING SPA (IT) 2010-08-24 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-20100311962-A1 Agents For Magnetic Imaging Method SLC19A1, SLC40A1, MPI CA2 712/4885CA1 408/4885CA4 391/4885

“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.