SCHEMBL9906205

SCHEMBL9906205

Nc1ccc(CC2CN(CC(=O)O)Cc3cccc(n3)CN(CC(=O)O)CCN2CC(=O)O)cc1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 2/20 0.38
CHIT1 Q13231 2/20 0.37
DPP4 P27487 1/20 0.35
CA1 P00915 4/20 0.32
CA2 P00918 4/20 0.32
CA4 P22748 4/20 0.32
CA9 Q16790 4/20 0.32
SIGMAR1 Q99720 1/20 0.32
SLC6A9 P48067 1/20 0.32

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
SCHEMBL16644695 0.94 CHIT1 (0.37) FOLH1CHIT1DPP4CA1CA2
SCHEMBL9906195 0.94 CHIT1 (0.37) FOLH1CHIT1DPP4CA1CA2
SCHEMBL16642308 0.88 CHIT1 (0.37) FOLH1CHIT1DPP4
SCHEMBL19157450 0.88 FOLH1 (0.37) FOLH1CHIT1DPP4SLC6A9
SCHEMBL16640623 0.86 CHIT1 (0.37) FOLH1CHIT1DPP4CA1CA2
SCHEMBL9906207 0.86 KCNJ1 (0.39) FOLH1SIGMAR1
SCHEMBL13558123 0.86 CHIT1 (0.32) FOLH1CHIT1DPP4
SCHEMBL9906211 0.84 GRIN1 (0.39) FOLH1CHIT1DPP4
SCHEMBL1079200 0.84 FOLH1 (0.45) FOLH1CHIT1DPP4CA1CA2
SCHEMBL5864632 0.84 FOLH1 (0.45) FOLH1CHIT1DPP4CA1CA2

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 FOLH1 110/4885CHIT1 228/4885DPP4 4606/4885
US-20120276001-A1 BIFUNCTIONAL POLYAZAMACROCYCLIC CHELATING AGENTS LPXN, FCGRT, F13A1 FOLH1 91/4885CHIT1 217/4885DPP4 4610/4885

“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.