SCHEMBL2080974

SCHEMBL2080974

NCc1ncccc1N1CCOCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
METAP1 P53582 1/20 0.41
SCN5A Q14524 1/20 0.40
SCN9A Q15858 1/20 0.40
PIK3CD O00329 2/20 0.39
PIK3CA P42336 2/20 0.39
NCF1 P14598 1/20 0.39
PIK3CB P42338 1/20 0.39
KCNMA1 Q12791 1/20 0.39
POLB P06746 2/20 0.39
GAA P10253 2/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
THRB P10828 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 1/20 0.39
KMT2A Q03164 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
SCHEMBL3645849 0.84 ALDH1A1 (0.45) SMN1; SMN2ALDH1A1CYP1A2CYP2C9METAP1
SCHEMBL3647188 0.84 ALDH1A1 (0.45) SMN1; SMN2ALDH1A1CYP1A2CYP2C9METAP1
SCHEMBL24801822 0.84 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1CYP1A2CYP2C9METAP1
SCHEMBL2084723 0.83 KEAP1 (0.46) SMN1; SMN2ALDH1A1CYP1A2CYP2C9METAP1
SCHEMBL823332 0.78 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1CYP1A2CYP2C9METAP1
SCHEMBL1309815 0.76 PIK3CA (0.50) PIK3CDPIK3CAPIK3CBPOLBLMNA
SCHEMBL929136 0.75 METAP2 (0.51) SMN1; SMN2ALDH1A1CYP2C9NCF1POLB
SCHEMBL14878640 0.75 ALOX15 (0.46) SMN1; SMN2ALDH1A1CYP1A2CYP2C9METAP1
SCHEMBL2459669 0.75 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1CYP1A2CYP2C9METAP1
SCHEMBL24342393 0.75 CYP1A2 (0.45) SMN1; SMN2ALDH1A1CYP1A2CYP2C9METAP1

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 SMN1; SMN2 4611/4885ALDH1A1 357/4885CYP1A2 1999/4885
US-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS CXCR4, CXCR1, CXCR3 SMN1; SMN2 4601/4885ALDH1A1 424/4885CYP1A2 2710/4885

“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.