SCHEMBL4101957

SCHEMBL4101957

O=C(O)CN1CCN(CC(=O)O)Cc2cccc(n2)C(Cc2ccc([N+](=O)[O-])cc2)N(CC(=O)O)CC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.38
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
MAPK1 P28482 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
KCNJ1 P48048 2/20 0.36
KCNH2 Q12809 2/20 0.36
NPC1 O15118 1/20 0.36
NR2F2 P24468 1/20 0.36
RAB9A P51151 1/20 0.36
SIGMAR1 Q99720 4/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL13558137 0.93 KCNJ1 (0.38) POLBKDM4EALDH1A1HTTL3MBTL1
SCHEMBL9906207 0.84 KCNJ1 (0.39) POLBKDM4EALDH1A1HTTMAPK1
SCHEMBL4086916 0.82 KDM4E (0.38) POLBKDM4EALDH1A1HTTMAPK1
SCHEMBL4094175 0.82 KDM4E (0.38) POLBKDM4EALDH1A1HTTMAPK1
SCHEMBL9906212 0.82 KDM4E (0.38) POLBKDM4EALDH1A1HTTMAPK1
SCHEMBL9305546 0.81 ALDH1A1 (0.33) POLBALDH1A1MAPK1NPC1LMNA
SCHEMBL29299527 0.80 KCNJ1 (0.38) POLBKDM4EALDH1A1HTTL3MBTL1
SCHEMBL25271966 0.74 KCNJ1 (0.46) POLBKDM4EALDH1A1HTTL3MBTL1
SCHEMBL31539506 0.74 KCNJ1 (0.46) POLBKDM4EALDH1A1HTTL3MBTL1
SCHEMBL3420319 0.74 KCNJ1 (0.46) POLBKDM4EALDH1A1HTTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2004642-B1 BIFUNCTIONAL POLYAZAMACROCYCLIC CHELATING AGENTS Nordion (Canada) Inc (CA) 2017-07-26 EP disclosed
EP-2004642-B1 BIFUNCTIONAL POLYAZAMACROCYCLIC CHELATING AGENTS Nordion (Canada) Inc (CA) 2017-07-26 EP disclosed
US-8518715-B2 Bifunctional polyazamacrocyclic chelating agents NORDION (CANADA) INC. (CA) 2013-08-27 US disclosed
US-8518715-B2 Bifunctional polyazamacrocyclic chelating agents NORDION (CANADA) INC. (CA) 2013-08-27 US disclosed
US-20120276001-A1 BIFUNCTIONAL POLYAZAMACROCYCLIC CHELATING AGENTS Nordion (Canada) Inc (CA) 2012-11-01 US disclosed
US-20120276001-A1 BIFUNCTIONAL POLYAZAMACROCYCLIC CHELATING AGENTS Nordion (Canada) Inc (CA) 2012-11-01 US disclosed
US-8198101-B2 Bifunctional polyazamacrocyclic chelating agents NORDION (CANADA) INC. (CA) 2012-06-12 US disclosed
US-8198101-B2 Bifunctional polyazamacrocyclic chelating agents NORDION (CANADA) INC. (CA) 2012-06-12 US disclosed
US-8198101-B2 Bifunctional polyazamacrocyclic chelating agents NORDION (CANADA) INC. (CA) 2012-06-12 US disclosed
US-20090202521-A1 Bifunctional Polyazamacrocyclic Chelating Agents MDS (CANADA) INC. (CA) 2009-08-13 US disclosed
US-20090202521-A1 Bifunctional Polyazamacrocyclic Chelating Agents MDS (CANADA) INC. (CA) 2009-08-13 US disclosed
US-20090202521-A1 Bifunctional Polyazamacrocyclic Chelating Agents MDS (CANADA) INC. (CA) 2009-08-13 US disclosed
WO-2007104135-A1 BIFUNCTIONAL POLYAZAMACROCYCLIC CHELATING AGENTS MDS (CANADA) INC. (CA) 2007-09-20 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 (2 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-20090202521-A1 Bifunctional Polyazamacrocyclic Chelating Agents LPXN, FCGRT, POLQ POLB 59/4885KDM4E 3407/4885ALDH1A1 2764/4885
US-20120276001-A1 BIFUNCTIONAL POLYAZAMACROCYCLIC CHELATING AGENTS LPXN, FCGRT, F13A1 POLB 68/4885KDM4E 3580/4885ALDH1A1 2824/4885

“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.