SCHEMBL2822250

SCHEMBL2822250

CCOC(=O)c1cccc(CN2CCNCCN(Cc3cccc(C(=O)OCC)n3)CC2)n1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.55
CXCR4 P61073 2/20 0.50
MAPT P10636 1/20 0.46
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 3/20 0.45
GAA P10253 1/20 0.41
KDM5C P41229 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
HIF1A Q16665 1/20 0.39
LMNA P02545 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
SCHEMBL22166986 0.88 CXCR4 (0.52) CXCR4KDM4EALDH1A1GAAKDM5C
SCHEMBL2817557 0.85 CYP1A2 (0.55) CYP1A2MAPTKDM4EALDH1A1GAA
SCHEMBL26088149 0.84 CXCR4 (0.41) CYP1A2CXCR4MAPTKDM4EALDH1A1
SCHEMBL22166985 0.83 CXCR4 (0.48) CXCR4KDM4EKDM5CKDM4CBCHE
SCHEMBL23790268 0.82 CXCR4 (0.52) CXCR4MAPTKDM4EALDH1A1GAA
SCHEMBL19013529 0.82 CXCR4 (0.57) CXCR4KDM4EALDH1A1GAAKDM5C
SCHEMBL26849946 0.82 CXCR4 (0.57) CXCR4KDM4EGAAKDM5CKDM4C
SCHEMBL17708319 0.80 CXCR4 (0.58) CXCR4KDM4EGAAKDM5CKDM4C
SCHEMBL16705677 0.79 CXCR4 (0.61) CXCR4KDM4EGAAKDM5CKDM4C
SCHEMBL23780012 0.79 CXCR4 (0.61) CXCR4KDM4EGAAKDM5CKDM4C

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1976850-B1 NOVEL LANTHANIDE LIGANDS AND COMPLEXES, AND USE THEREOF AS CONTRAST AGENTS COMMISSARIAT ENERGIE ATOMIQUE (FR) 2012-08-15 EP disclosed
US-20100247448-A1 NOVEL LANTHANIDE LIGANDS AND COMPLEXES, AND USE THEREOF AS CONTRAST AGENTS COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2010-09-30 US 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-20100247448-A1 NOVEL LANTHANIDE LIGANDS AND COMPLEXES, AND USE THEREOF AS CONTRAST AGENTS SLC39A11, LPO, ZYX CYP1A2 1790/4885CXCR4 80/4885MAPT 4780/4885

“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.