SCHEMBL15499780

SCHEMBL15499780

NCCNC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.56
KDM4E B2RXH2 1/20 0.56
LMNA P02545 1/20 0.56
CHRM2 P08172 1/20 0.56
ADRA2A P08913 1/20 0.56
ALOX15 P16050 1/20 0.56
TSHR P16473 1/20 0.56
DRD1 P21728 1/20 0.56
SLC6A2 P23975 1/20 0.56
SLC6A4 P31645 1/20 0.56
CYP2C19 P33261 1/20 0.56
ADRA1A P35348 1/20 0.56
DRD3 P35462 1/20 0.56
BLM P54132 1/20 0.56
PMP22 Q01453 1/20 0.56
SLC6A3 Q01959 1/20 0.56
HRH3 Q9Y5N1 1/20 0.56
CA1 P00915 17/20 0.52
CA2 P00918 17/20 0.52
CA4 P22748 9/20 0.52

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
SCHEMBL8719328 1.00 TDP1 (0.56) TDP1KDM4ELMNACHRM2ADRA2A
SCHEMBL21539283 1.00 TDP1 (0.56) TDP1KDM4ELMNACHRM2ADRA2A
Water SCHEMBL8536223 0.98 TDP1 (0.54) TDP1KDM4ELMNACHRM2ADRA2A
SCHEMBL9397104 0.92 CA1 (0.43) TDP1KDM4ELMNACHRM2ADRA2A
SCHEMBL17897098 0.92 CA1 (0.47) TDP1KDM4ELMNACHRM2ADRA2A
SCHEMBL19262245 0.89 TDP1 (0.52) TDP1KDM4ELMNACHRM2ADRA2A
SCHEMBL8536277 0.88 TDP1 (0.65) TDP1KDM4ELMNACHRM2ADRA2A
Water SCHEMBL8989343 0.87 CA1 (0.43) TDP1KDM4ELMNACHRM2ADRA2A
SCHEMBL23308012 0.85 CA1 (0.43) TDP1KDM4ELMNACHRM2ADRA2A
SCHEMBL8877901 0.84 CA1 (0.47) TDP1KDM4ELMNACHRM2ADRA2A

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-20140065075-A1 TARGETED CONTRAST AGENTS AND USES THEREOF RF THERAPEUTICS INC. (CA) 2014-03-06 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-20140065075-A1 TARGETED CONTRAST AGENTS AND USES THEREOF ANTXR2, CALCOCO2, PAICS TDP1 4496/4885KDM4E 3610/4885LMNA 890/4885

“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.