SCHEMBL9906212

SCHEMBL9906212

O=C(O)CN1CCN(CC(=O)O)CC(Cc2ccc([N+](=O)[O-])cc2)N(CC(=O)O)Cc2cccc(n2)C1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HTT P42858 1/20 0.37
CCR2 P41597 1/20 0.37
KCNJ1 P48048 2/20 0.36
KCNH2 Q12809 2/20 0.36
MAPK1 P28482 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
NR2F2 P24468 1/20 0.36
RAB9A P51151 1/20 0.36
POLB P06746 1/20 0.36
SIGMAR1 Q99720 4/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
LMNA P02545 1/20 0.35
MAPT P10636 1/20 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
SCHEMBL4094175 1.00 KDM4E (0.38) KDM4EALDH1A1HTTCCR2KCNJ1
SCHEMBL4086916 1.00 KDM4E (0.38) KDM4EALDH1A1HTTCCR2KCNJ1
SCHEMBL9906207 0.94 KCNJ1 (0.39) KDM4EALDH1A1HTTCCR2KCNJ1
SCHEMBL29299527 0.90 KCNJ1 (0.38) KDM4EALDH1A1HTTCCR2KCNJ1
SCHEMBL13558098 0.88 KDM4E (0.34) KDM4EALDH1A1HTTCCR2KCNJ1
SCHEMBL18807569 0.86 L3MBTL1 (0.38) KDM4EALDH1A1HTTMAPK1POLB
SCHEMBL16644695 0.86 CHIT1 (0.37) SIGMAR1
SCHEMBL19389406 0.86 L3MBTL1 (0.38) KDM4EALDH1A1HTTMAPK1POLB
SCHEMBL10060134 0.86 CHIT1 (0.37) KDM4EALDH1A1MAPT
SCHEMBL9906195 0.86 CHIT1 (0.37) SIGMAR1

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 7 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
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-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
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 KDM4E 3407/4885ALDH1A1 2764/4885HTT 1696/4885
US-20120276001-A1 BIFUNCTIONAL POLYAZAMACROCYCLIC CHELATING AGENTS LPXN, FCGRT, F13A1 KDM4E 3580/4885ALDH1A1 2824/4885HTT 1672/4885

“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.