SCHEMBL16631776

SCHEMBL16631776

NCCCNC(=O)c1ccc(CN2CCN(CC(=O)O)CCN(CC(=O)O)CC2)nc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.44
▸ HIF1A Q16665 1/20 0.41
▸ EPAS1 Q99814 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ KLKB1 P03952 1/20 0.40
▸ KLK1 P06870 1/20 0.40
▸ FOLH1 Q04609 1/20 0.39
▸ NAMPT P43490 1/20 0.39
▸ MAPK8 P45983 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HTR1A P08908 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ DRD3 P35462 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
SCHEMBL28431822 0.89 KDM4E (0.46) EPHX2HIF1AEPAS1HDAC6KDM4E
SCHEMBL16631768 0.82 EPHX2 (0.44) EPHX2ALDH1A1LMNAGAAMAPT
SCHEMBL18022784 0.77 KDM4E (0.50) EPHX2KDM4EMAPK8
SCHEMBL25704046 0.74 HIF1A (0.48) EPHX2HIF1AEPAS1HDAC6KDM4E
SCHEMBL9377535 0.74 HDAC6 (0.51) EPHX2HIF1AEPAS1HDAC6NAMPT
SCHEMBL28897043 0.72 KDM4E (0.47) KDM4EKLKB1KLK1NAMPTALDH1A1
SCHEMBL29171821 0.72 LMNA (0.47) KDM4EALDH1A1LMNAMAPTMAPK1
SCHEMBL30945320 0.72 KDM4E (0.48) KDM4EALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL27238064 0.72 KDM4E (0.48) KDM4EALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL28443185 0.71 NAAA (0.50) HDAC6KDM4EKLKB1KLK1SMN1; 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 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 EPHX2 2976/4885HIF1A 444/4885EPAS1 841/4885
US-20160235870-A1 MULTIFUNCTIONAL CHELATORS, COMPLEXES, AND COMPOSITIONS THEREOF, AND METHODS OF USING SAME FECH, SLC40A1, TFRC EPHX2 2976/4885HIF1A 444/4885EPAS1 841/4885
US-10441669-B2 Multifunctional chelators, complexes, and compositions thereof, and methods of using same FECH, SLC40A1, TFRC EPHX2 2976/4885HIF1A 444/4885EPAS1 841/4885

“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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