SCHEMBL16631777

SCHEMBL16631777

O=C(O)CN1CCN(CCN(CC(=O)O)Cc2ccccn2)CCN(CC(=O)O)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LIN28A Q9H9Z2 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
KDM4E B2RXH2 6/20 0.43
ALDH1A1 P00352 6/20 0.43
NPSR1 Q6W5P4 1/20 0.43
THRB P10828 2/20 0.41
HTR1A P08908 2/20 0.41
DRD4 P21917 1/20 0.41
HTR2A P28223 1/20 0.41
HTR7 P34969 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
HTR2B P41595 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.39
DRD2 P14416 1/20 0.39

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
SCHEMBL463093 0.82 ALDH1A1 (0.44) TDP1KDM4EALDH1A1KMT2ALMNA
SCHEMBL2818579 0.82 SMN1; SMN2 (0.68) MAPTSMN1; SMN2LIN28ATDP1KDM4E
SCHEMBL8209122 0.80 TDP1 (0.66) MAPTSMN1; SMN2LIN28ATDP1KDM4E
SCHEMBL8200516 0.80 SMN1; SMN2 (0.71) MAPTSMN1; SMN2LIN28ATDP1KDM4E
SCHEMBL29574935 0.80 SMN1; SMN2 (0.71) MAPTSMN1; SMN2LIN28ATDP1KDM4E
SCHEMBL8208243 0.80 SMN1; SMN2 (0.66) MAPTSMN1; SMN2LIN28ATDP1KDM4E
SCHEMBL4526885 0.80 SMN1; SMN2 (0.66) MAPTSMN1; SMN2LIN28ATDP1KDM4E
SCHEMBL17119722 0.80 SMN1; SMN2 (0.43) MAPTSMN1; SMN2LIN28ATDP1KDM4E
SCHEMBL20678142 0.80 SMN1; SMN2 (0.43) MAPTSMN1; SMN2LIN28ATDP1KDM4E
SCHEMBL3854916 0.80 SMN1; SMN2 (0.63) MAPTSMN1; SMN2LIN28ATDP1ALDH1A1

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 5 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
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 MAPT 1680/4885SMN1; SMN2 607/4885LIN28A 2574/4885
US-20160235870-A1 MULTIFUNCTIONAL CHELATORS, COMPLEXES, AND COMPOSITIONS THEREOF, AND METHODS OF USING SAME FECH, SLC40A1, TFRC MAPT 1680/4885SMN1; SMN2 607/4885LIN28A 2574/4885
US-10441669-B2 Multifunctional chelators, complexes, and compositions thereof, and methods of using same FECH, SLC40A1, TFRC MAPT 1680/4885SMN1; SMN2 607/4885LIN28A 2574/4885

“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.