SCHEMBL4444378

SCHEMBL4444378

O=C(OCc1ccccc1)c1cn(C2CC2)c2cc(Cl)c(NCCOCCO)cc2c1=O

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.36
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
ADRB2 P07550 1/20 0.35
KDM4E B2RXH2 2/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
STAT3 P40763 1/20 0.34
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
TOP2B Q02880 1/20 0.33
PIK3CG P48736 1/20 0.33

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
SCHEMBL4173042 0.86 ADRB2 (0.37) GSK3BMAPK1ADRB2KDM4ELMNA
SCHEMBL3812467 0.86 KDM4E (0.42) GSK3BKDM4ELMNASMN1; SMN2MAPT
SCHEMBL335178 0.79 KDM4E (0.42) GSK3BKDM4ELMNASMN1; SMN2MAPT
SCHEMBL3819773 0.79 KDM4E (0.44) GSK3BKDM4ELMNAMAPTHRH3
SCHEMBL3809995 0.78 KDM4E (0.41) GSK3BKDM4ELMNASMN1; SMN2MAPT
SCHEMBL3810694 0.78 KDM4E (0.43) GSK3BKDM4ELMNAMAPTHRH3
SCHEMBL4388089 0.78 KDM4E (0.43) GSK3BKDM4ELMNAMAPTHRH3
SCHEMBL4908453 0.77 KDM4E (0.42) GSK3BKDM4ELMNAMAPTHRH3
SCHEMBL13799119 0.77 KDM4E (0.43) GSK3BKDM4ELMNAMAPTHRH3
SCHEMBL4550715 0.77 KDM4E (0.46) GSK3BKDM4ELMNASMN1; SMN2MAPT

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
US-20090062218-A1 MACROLONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-03-05 US disclosed
US-20090062218-A1 MACROLONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-03-05 US disclosed
US-20090062218-A1 MACROLONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-03-05 US disclosed
EP-1824871-A1 MACROLONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-08-29 EP disclosed
WO-2006050940-A1 MACROLONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2006-05-18 WO 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-20090062218-A1 MACROLONE COMPOUNDS CYP51A1, MRPL21, MYD88 GSK3B 2763/4885TSHR 3134/4885MAPK1 1945/4885

“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.