SCHEMBL4092491

SCHEMBL4092491

O=C(O)CN1CCOCCN(CC(=O)O)CC(Cc2ccc([N+](=O)[O-])cc2)N(CC(=O)O)CC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 3/20 0.49
ALDH1A1 P00352 3/20 0.49
LMNA P02545 3/20 0.49
MAPT P10636 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KMT2A Q03164 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
MEN1 O00255 1/20 0.42
PKM P14618 1/20 0.42
KCNH2 Q12809 1/20 0.41
POLB P06746 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CTSB P07858 1/20 0.40
FOLH1 Q04609 1/20 0.39
AKR1C3 P42330 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
SCHEMBL4096675 0.98 KCNJ1 (0.49) KCNJ1ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL9906210 0.98 KCNJ1 (0.49) KCNJ1ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL4086996 0.98 KCNJ1 (0.49) KCNJ1ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL25271966 0.94 KCNJ1 (0.46) KCNJ1ALDH1A1LMNASMN1; SMN2KCNH2
SCHEMBL6852082 0.94 KCNJ1 (0.46) KCNJ1ALDH1A1LMNASMN1; SMN2KCNH2
SCHEMBL31539506 0.94 KCNJ1 (0.46) KCNJ1ALDH1A1LMNASMN1; SMN2KCNH2
SCHEMBL3420319 0.94 KCNJ1 (0.46) KCNJ1ALDH1A1LMNASMN1; SMN2KCNH2
Hydrochloric Acid SCHEMBL30287913 0.92 KCNJ1 (0.45) KCNJ1ALDH1A1LMNASMN1; SMN2KCNH2
SCHEMBL4094082 0.91 KCNJ1 (0.47) KCNJ1ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL13558131 0.86 KCNJ1 (0.43) KCNJ1ALDH1A1LMNAMAPTSMN1; 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 15 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
EP-2004642-A1 BIFUNCTIONAL POLYAZAMACROCYCLIC CHELATING AGENTS MDS (Canada) Inc. (CA) 2008-12-24 EP disclosed
WO-2007104135-A1 BIFUNCTIONAL POLYAZAMACROCYCLIC CHELATING AGENTS MDS (CANADA) INC. (CA) 2007-09-20 WO 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 3276/4885ALDH1A1 2764/4885LMNA 354/4885
US-20120276001-A1 BIFUNCTIONAL POLYAZAMACROCYCLIC CHELATING AGENTS LPXN, FCGRT, F13A1 KCNJ1 3337/4885ALDH1A1 2824/4885LMNA 338/4885

“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.