SCHEMBL9906207

SCHEMBL9906207

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

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 2/20 0.39
KCNH2 Q12809 2/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HTT P42858 1/20 0.37
CCR2 P41597 1/20 0.37
NPC1 O15118 1/20 0.36
NR2F2 P24468 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 1/20 0.36
FOLH1 Q04609 1/20 0.36
SIGMAR1 Q99720 4/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
SIRT1 Q96EB6 1/20 0.36

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
SCHEMBL29299527 0.95 KCNJ1 (0.38) KCNJ1KCNH2KDM4EALDH1A1HTT
SCHEMBL4086916 0.94 KDM4E (0.38) KCNJ1KCNH2KDM4EALDH1A1HTT
SCHEMBL9906212 0.94 KDM4E (0.38) KCNJ1KCNH2KDM4EALDH1A1HTT
SCHEMBL4094175 0.94 KDM4E (0.38) KCNJ1KCNH2KDM4EALDH1A1HTT
SCHEMBL13558120 0.87 KCNJ1 (0.34) KCNJ1KCNH2KDM4EALDH1A1HTT
SCHEMBL9906205 0.86 FOLH1 (0.38) FOLH1SIGMAR1
SCHEMBL25271966 0.86 KCNJ1 (0.46) KCNJ1KCNH2KDM4EALDH1A1HTT
SCHEMBL31539506 0.86 KCNJ1 (0.46) KCNJ1KCNH2KDM4EALDH1A1HTT
SCHEMBL3420319 0.86 KCNJ1 (0.46) KCNJ1KCNH2KDM4EALDH1A1HTT
SCHEMBL6852082 0.86 KCNJ1 (0.46) KCNJ1KCNH2KDM4EALDH1A1HTT

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 8 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
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 KCNJ1 3276/4885KCNH2 807/4885KDM4E 3407/4885
US-20120276001-A1 BIFUNCTIONAL POLYAZAMACROCYCLIC CHELATING AGENTS LPXN, FCGRT, F13A1 KCNJ1 3337/4885KCNH2 862/4885KDM4E 3580/4885

“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.