SCHEMBL2084723

SCHEMBL2084723

NCc1ncccc1N1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.46
CYP2C19 P33261 2/20 0.45
HIF1A Q16665 1/20 0.45
PIM1 P11309 3/20 0.44
PIM3 Q86V86 2/20 0.44
MAPK1 P28482 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
MAPT P10636 3/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPC1 O15118 1/20 0.40
NCF1 P14598 1/20 0.40
PDE10A Q9Y233 1/20 0.39
CNR2 P34972 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
GAA P10253 2/20 0.39
METAP1 P53582 1/20 0.38

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
SCHEMBL2080974 0.83 SMN1; SMN2 (0.42) CYP1A2CYP2C9MAPTALDH1A1L3MBTL1
SCHEMBL2096944 0.77 PIM1 (0.50) KEAP1CYP2C19HIF1APIM1PIM3
SCHEMBL5067333 0.77 KEAP1 (0.55) KEAP1CYP2C19PIM1PIM3MAPK1
SCHEMBL29118465 0.74 KEAP1 (0.52) KEAP1CYP2C19PIM1PIM3MAPK1
SCHEMBL30443783 0.74 KEAP1 (0.52) KEAP1CYP2C19PIM1PIM3MAPK1
SCHEMBL15275375 0.73 GAA (0.50) KEAP1CYP2C19PIM1PIM3MAPK1
SCHEMBL8601978 0.73 KEAP1 (0.46) KEAP1CYP2C19PIM1PIM3MAPK1
SCHEMBL2096941 0.73 CYP1A2 (0.47) KEAP1CYP2C19PIM1PIM3MAPK1
SCHEMBL28265996 0.73 GAA (0.54) KEAP1CYP2C19PIM1PIM3MAPK1
SCHEMBL14659450 0.73 CYP1A2 (0.47) KEAP1CYP2C19PIM1PIM3MAPK1

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-1613613-B1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORP (US) 2021-06-02 EP disclosed
US-7863293-B2 CXCR4 chemokine receptor binding compounds GENZYME CORPORATION (US) 2011-01-04 US disclosed
EP-1613613-A4 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC (CA) 2009-03-25 EP disclosed
US-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED CORPORATION (CA) 2008-10-16 US disclosed
US-7291631-B2 CXCR4 chemokine receptor binding compounds GENZYME CORPORATION (US) 2007-11-06 US disclosed
EP-1613613-A2 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2006-01-11 EP disclosed
WO-2004091518-A2 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2004-10-28 WO disclosed
US-20040209921-A1 CXCR4 chemokine receptor binding comounds ANORMED CORPORATION (CA) 2004-10-21 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 (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-20040209921-A1 CXCR4 chemokine receptor binding comounds CXCR4, CXCR1, CXCR3 KEAP1 2224/4885CYP2C19 3175/4885HIF1A 243/4885
US-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS CXCR4, CXCR1, CXCR3 KEAP1 2027/4885CYP2C19 3250/4885HIF1A 360/4885

“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.