SCHEMBL9906206

SCHEMBL9906206

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

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CD4 P01730 4/20 0.45
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
CHIT1 Q13231 2/20 0.41
CHIA Q9BZP6 2/20 0.41
LMNA P02545 1/20 0.41
HSD11B1 P28845 1/20 0.40

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
SCHEMBL9906209 0.95 CD4 (0.45) CD4ALDH1A1MAPTLMNAHSD11B1
SCHEMBL9540293 0.85 ALDH1A1 (0.49) ALDH1A1MAPTLMNA
SCHEMBL4592308 0.83 MAPT (0.43) CD4ALDH1A1MAPTLMNAHSD11B1
SCHEMBL9024755 0.82 CD4 (0.52) CD4ALDH1A1LMNA
SCHEMBL4092772 0.80 LMNA (0.52) ALDH1A1MAPTLMNA
SCHEMBL9906200 0.80 LMNA (0.52) ALDH1A1MAPTLMNA
SCHEMBL19157440 0.77 MAPT (0.41) CD4ALDH1A1MAPTLMNAHSD11B1
SCHEMBL9216667 0.76 CD4 (0.71) CD4ALDH1A1LMNA
SCHEMBL5557223 0.74 CD4 (0.69) CD4ALDH1A1LMNA
SCHEMBL4097232 0.74 LMNA (0.51) ALDH1A1MAPTLMNA

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-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
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 (1 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-20120276001-A1 BIFUNCTIONAL POLYAZAMACROCYCLIC CHELATING AGENTS LPXN, FCGRT, F13A1 CD4 779/4885ALDH1A1 2824/4885MAPT 3836/4885

“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.