SCHEMBL2083737

SCHEMBL2083737

CCC(CC)(OC)c1cccnc1C=O

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 14/20 0.36
PLCG1 P19174 1/20 0.33
TRIM24 O15164 1/20 0.33
TRIM33 Q9UPN9 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
ALDH1A1 P00352 2/20 0.30
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL2085731 0.80 NFE2L2 (0.40) NFE2L2PLCG1TRIM24TRIM33ALDH1A1
SCHEMBL2083969 0.80 P2RX7 (0.35) NFE2L2PLCG1NPC1
SCHEMBL80776 0.75 TRIM24 (0.38) NFE2L2PLCG1TRIM24TRIM33TDP1
SCHEMBL2084210 0.75 ALDH1A1 (0.46) PLCG1NPC1RAB9AALDH1A1KDM4E
SCHEMBL586118 0.72 NFE2L2 (0.48) NFE2L2TRIM24TRIM33LMNA
SCHEMBL6115316 0.70 TRIM24 (0.39) TRIM24TRIM33NPC1RAB9AALDH1A1
SCHEMBL934218 0.69 GRM5 (0.45) NFE2L2ALDH1A1LMNA
SCHEMBL4229224 0.69 HTT (0.45) NFE2L2TRIM24TRIM33TDP1NPC1
SCHEMBL22212665 0.69 NFE2L2 (0.39) NFE2L2TRIM24TRIM33NPC1RAB9A
SCHEMBL2084716 0.69 KDM4E (0.37) NFE2L2TRIM24TRIM33ALDH1A1KDM4E

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 5 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
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
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 NFE2L2 1677/4885PLCG1 4241/4885TRIM24 3247/4885
US-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS CXCR4, CXCR1, CXCR3 NFE2L2 1764/4885PLCG1 4208/4885TRIM24 2478/4885

“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.