SCHEMBL9906209

SCHEMBL9906209

Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)C(Cc3ccc([N+](=O)[O-])cc3)CN(S(=O)(=O)c3ccc(C)cc3)Cc3cccc(n3)C2)cc1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CD4 P01730 4/20 0.45
MAPT P10636 2/20 0.44
ALDH1A1 P00352 3/20 0.42
LMNA P02545 2/20 0.41
HSD11B1 P28845 1/20 0.40
KMT2A Q03164 1/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 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
SCHEMBL9906206 0.95 CD4 (0.45) CD4MAPTALDH1A1LMNAHSD11B1
SCHEMBL9540293 0.87 ALDH1A1 (0.49) MAPTALDH1A1LMNAKMT2A
SCHEMBL4592308 0.85 MAPT (0.43) CD4MAPTALDH1A1LMNAHSD11B1
SCHEMBL4092772 0.81 LMNA (0.52) MAPTALDH1A1LMNAKMT2A
SCHEMBL9906200 0.80 LMNA (0.52) MAPTALDH1A1LMNAKMT2A
SCHEMBL19157440 0.79 MAPT (0.41) CD4MAPTALDH1A1LMNAHSD11B1
SCHEMBL4097232 0.78 LMNA (0.51) MAPTALDH1A1LMNAKMT2A
SCHEMBL9024755 0.76 CD4 (0.52) CD4ALDH1A1LMNAKMT2A
SCHEMBL9216667 0.76 CD4 (0.71) CD4ALDH1A1LMNAKMT2A
SCHEMBL8192516 0.75 GAA (0.55) MAPTALDH1A1LMNAKMT2A

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 9 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-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-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 CD4 612/4885MAPT 3956/4885ALDH1A1 2764/4885
US-20120276001-A1 BIFUNCTIONAL POLYAZAMACROCYCLIC CHELATING AGENTS LPXN, FCGRT, F13A1 CD4 779/4885MAPT 3836/4885ALDH1A1 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.