SCHEMBL16631768

SCHEMBL16631768

NCCCNC(=O)c1ccc(CN(CCN2CCN(CC(=O)O)CCN(CC(=O)O)CC2)CC(=O)O)nc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.44
▸ HTR1A P08908 3/20 0.37
▸ DRD3 P35462 3/20 0.37
▸ HTR2A P28223 1/20 0.37
▸ LMNA P02545 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ DRD2 P14416 2/20 0.37
▸ DRD4 P21917 2/20 0.37
▸ ADRA1D P25100 2/20 0.37
▸ ADRA1A P35348 2/20 0.37
▸ ADRA1B P35368 2/20 0.37

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
SCHEMBL16631776 0.82 EPHX2 (0.44) EPHX2HTR1ADRD3HTR2ALMNA
SCHEMBL18022788 0.78 LMNA (0.38) LMNAALDH1A1MAPK1SMN1; SMN2
SCHEMBL21467148 0.75 KDM4E (0.47) LMNAALDH1A1MAPK1
SCHEMBL16631777 0.73 MAPT (0.46) HTR1AHTR2ALMNAALDH1A1MAPT
SCHEMBL28431822 0.72 KDM4E (0.46) EPHX2LMNAALDH1A1GAAMAPT
SCHEMBL18022784 0.69 KDM4E (0.50) EPHX2
SCHEMBL463093 0.67 ALDH1A1 (0.44) LMNAALDH1A1GAA
SCHEMBL3773844 0.67 SIGMAR1 (0.39) LMNAALDH1A1MAPT
SCHEMBL463091 0.66 TDP1 (0.48) DRD3LMNAALDH1A1MAPK1SMN1; SMN2
SCHEMBL16631804 0.66 TDP1 (0.48) DRD3LMNAALDH1A1MAPK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10842893-B2 Multifunctional chelators, complexes, and compositions thereof, and methods of using same ILLINOIS INSTITUTE OF TECHNOLOGY (US) 2020-11-24 — — US disclosed
US-10441669-B2 Multifunctional chelators, complexes, and compositions thereof, and methods of using same ILLINOIS INSTITUTE OF TECHNOLOGY (US) 2019-10-15 — — US disclosed
US-20160235870-A1 MULTIFUNCTIONAL CHELATORS, COMPLEXES, AND COMPOSITIONS THEREOF, AND METHODS OF USING SAME ILLINOIS INSTITUTE OF TECHNOLOGY (US) 2016-08-18 — — US disclosed
WO-2015051362-A1 MULTIFUNCTIONAL CHELATORS, COMPLEXES, AND COMPOSITIONS THEREOF, AND METHODS OF USING SAME ILLINOIS INSTITUTE OF TECHNOLOGY (US) 2015-04-09 — — 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 (3 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-10842893-B2 Multifunctional chelators, complexes, and compositions thereof, and methods of using same FECH, SLC40A1, TFRC EPHX2 2976/4885HTR1A 4838/4885DRD3 4561/4885
US-20160235870-A1 MULTIFUNCTIONAL CHELATORS, COMPLEXES, AND COMPOSITIONS THEREOF, AND METHODS OF USING SAME FECH, SLC40A1, TFRC EPHX2 2976/4885HTR1A 4838/4885DRD3 4561/4885
US-10441669-B2 Multifunctional chelators, complexes, and compositions thereof, and methods of using same FECH, SLC40A1, TFRC EPHX2 2976/4885HTR1A 4838/4885DRD3 4561/4885

“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.

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