SCHEMBL2084890

SCHEMBL2084890

COC1(c2cccnc2C=O)CCCCC1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
HTT P42858 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NFE2L2 Q16236 7/20 0.33
ALOX5 P09917 1/20 0.32
P2RX7 Q99572 1/20 0.31
TRIM24 O15164 1/20 0.30
TRIM33 Q9UPN9 1/20 0.30
ITGA4 P13612 1/20 0.30
ITGB7 P26010 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
SCHEMBL2083575 0.95 NFE2L2 (0.34) NFE2L2TRIM24TRIM33
SCHEMBL2084343 0.77 KDM4E (0.36) KDM4EHTTHSD17B10ALOX5P2RX7
SCHEMBL30320155 0.73 P2RY1 (0.34) NFE2L2TRIM24TRIM33
SCHEMBL2082538 0.72 TRIM24 (0.33) KDM4EHTTHSD17B10TRIM24TRIM33
SCHEMBL2083687 0.72 ALDH1A1 (0.40) KDM4EHTT
SCHEMBL2084269 0.69 P2RX7 (0.38) NFE2L2P2RX7
SCHEMBL23104760 0.67 TDP2 (0.34) NFE2L2
SCHEMBL2084338 0.65 NFE2L2 (0.55) NFE2L2
SCHEMBL12879264 0.65 CLK4 (0.47) KDM4EHTTHSD17B10ALOX5
SCHEMBL6764220 0.64 LMNA (0.46) KDM4EHTTHSD17B10ALOX5

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 KDM4E 3901/4885HTT 4384/4885HSD17B10 2262/4885
US-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS CXCR4, CXCR1, CXCR3 KDM4E 3210/4885HTT 3742/4885HSD17B10 3062/4885

“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.