SCHEMBL17986158

SCHEMBL17986158

O=C(O)CN1CCN(CC(=O)O)CCN(CC(O)CCc2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KCNJ1 P48048 12/20 0.51
▸ KCNH2 Q12809 11/20 0.51
▸ TDP1 Q9NUW8 1/20 0.47
▸ SIGMAR1 Q99720 2/20 0.46
▸ HRH3 Q9Y5N1 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ NR2F2 P24468 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ DRD4 P21917 1/20 0.43

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
SCHEMBL21448719 0.89 KCNJ1 (0.43) KCNJ1KCNH2TDP1SIGMAR1KDM4E
SCHEMBL17986179 0.84 KCNJ1 (0.50) KCNJ1KCNH2SIGMAR1HRH3KDM4E
SCHEMBL8657520 0.84 KCNJ1 (0.50) KCNJ1KCNH2SIGMAR1HRH3KDM4E
SCHEMBL17986050 0.83 KCNJ1 (0.46) KCNJ1KCNH2TDP1HRH3KDM4E
SCHEMBL8715859 0.82 KCNJ1 (0.77) KCNJ1KCNH2SIGMAR1HRH3
SCHEMBL8509511 0.82 KCNJ1 (0.77) KCNJ1KCNH2SIGMAR1HRH3
SCHEMBL7158186 0.81 PRMT5 (0.49) KCNJ1KCNH2TDP1SIGMAR1KDM4E
SCHEMBL17985899 0.80 KCNJ1 (0.50) KCNJ1KCNH2SIGMAR1HRH3KDM4E
SCHEMBL17985929 0.80 KCNJ1 (0.56) KCNJ1KCNH2SIGMAR1HRH3KDM4E
SCHEMBL17986054 0.80 KCNJ1 (0.74) KCNJ1KCNH2SIGMAR1HRH3

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
US-20160235870-A1 MULTIFUNCTIONAL CHELATORS, COMPLEXES, AND COMPOSITIONS THEREOF, AND METHODS OF USING SAME ILLINOIS INSTITUTE OF TECHNOLOGY (US) 2016-08-18 — — 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 (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 KCNJ1 3900/4885KCNH2 4384/4885TDP1 1161/4885
US-20160235870-A1 MULTIFUNCTIONAL CHELATORS, COMPLEXES, AND COMPOSITIONS THEREOF, AND METHODS OF USING SAME FECH, SLC40A1, TFRC KCNJ1 3900/4885KCNH2 4384/4885TDP1 1161/4885
US-10441669-B2 Multifunctional chelators, complexes, and compositions thereof, and methods of using same FECH, SLC40A1, TFRC KCNJ1 3900/4885KCNH2 4384/4885TDP1 1161/4885

“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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