SCHEMBL15831761

SCHEMBL15831761

NCCCCCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 4/20 0.62
LMNA P02545 3/20 0.62
TDP1 Q9NUW8 2/20 0.62
ALOX15 P16050 2/20 0.62
SLC6A2 P23975 2/20 0.62
SLC6A3 Q01959 2/20 0.62
PMP22 Q01453 2/20 0.62
TSHR P16473 2/20 0.62
CHRM2 P08172 2/20 0.62
KDM4E B2RXH2 1/20 0.62
ADRA2A P08913 1/20 0.62
DRD1 P21728 1/20 0.62
SLC6A4 P31645 1/20 0.62
CYP2C19 P33261 1/20 0.62
ADRA1A P35348 1/20 0.62
DRD3 P35462 1/20 0.62
HRH3 Q9Y5N1 1/20 0.62
EYA2 O00167 1/20 0.58
APP P05067 1/20 0.58
ACE P12821 1/20 0.58

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
SCHEMBL8441603 0.96 TDP1 (0.58) BLMLMNATDP1ALOX15SLC6A2
SCHEMBL2808370 0.96 TDP1 (0.56) BLMLMNATDP1ALOX15SLC6A2
SCHEMBL1273738 0.96 TDP1 (0.56) BLMLMNATDP1ALOX15SLC6A2
SCHEMBL31040438 0.94 BLM (0.52) BLMLMNATDP1ALOX15SLC6A2
SCHEMBL4955509 0.94 BLM (0.56) BLMLMNATDP1ALOX15SLC6A2
Hydrochloric Acid SCHEMBL26104340 0.92 BLM (0.50) BLMLMNATDP1ALOX15SLC6A2
SCHEMBL29223009 0.87 BLM (0.61) BLMLMNATDP1ALOX15SLC6A2
SCHEMBL372746 0.87 BLM (0.59) BLMLMNATDP1ALOX15SLC6A2
SCHEMBL1420542 0.87 TDP1 (0.62) BLMLMNATDP1ALOX15SLC6A2
SCHEMBL12605208 0.85 CHRM2 (0.57) BLMLMNATDP1ALOX15SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140178302-A1 INTEGRIN TARGETED SYNTHETIC LIGANDS FOR DIAGNOSTIC AND THERAPEUTIC APPLICATIONS BRACCO IMAGING S.P.A. (IT) 2014-06-26 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-20140178302-A1 INTEGRIN TARGETED SYNTHETIC LIGANDS FOR DIAGNOSTIC AND THERAPEUTIC APPLICATIONS ITGA2B, ITGB2, ITGB1 BLM 4026/4885LMNA 2877/4885TDP1 4559/4885

“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.