SCHEMBL21448726

SCHEMBL21448726

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

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.54
ALDH1A1 P00352 9/20 0.54
NPSR1 Q6W5P4 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.50
MAPT P10636 1/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
LMNA P02545 1/20 0.48
GFER P55789 1/20 0.48
POLB P06746 1/20 0.47
HRH1 P35367 1/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
PKM P14618 1/20 0.45

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
SCHEMBL17986173 0.95 KDM4E (0.55) KDM4EALDH1A1NPSR1L3MBTL1MAPT
SCHEMBL8209027 0.86 KDM4E (0.68) KDM4EALDH1A1NPSR1L3MBTL1MAPT
SCHEMBL30218423 0.86 KDM4E (0.68) KDM4EALDH1A1NPSR1L3MBTL1MAPT
SCHEMBL21044013 0.86 KDM4E (0.68) KDM4EALDH1A1NPSR1L3MBTL1MAPT
SCHEMBL8211724 0.86 KDM4E (0.68) KDM4EALDH1A1NPSR1L3MBTL1MAPT
SCHEMBL26969150 0.86 KDM4E (0.68) KDM4EALDH1A1NPSR1L3MBTL1MAPT
SCHEMBL30811211 0.86 KDM4E (0.68) KDM4EALDH1A1NPSR1L3MBTL1MAPT
SCHEMBL28895784 0.81 ALDH1A1 (0.66) KDM4EALDH1A1NPSR1L3MBTL1MAPT
SCHEMBL2137893 0.81 ALDH1A1 (0.68) KDM4EALDH1A1NPSR1L3MBTL1MAPT
SCHEMBL21043972 0.79 KDM4E (0.59) KDM4EALDH1A1NPSR1L3MBTL1MAPT

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-10441669-B2 Multifunctional chelators, complexes, and compositions thereof, and methods of using same ILLINOIS INSTITUTE OF TECHNOLOGY (US) 2019-10-15 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-10441669-B2 Multifunctional chelators, complexes, and compositions thereof, and methods of using same FECH, SLC40A1, TFRC KDM4E 3507/4885ALDH1A1 4350/4885NPSR1 3872/4885

“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.