SCHEMBL4173042

SCHEMBL4173042

COC(=O)c1cn(C2CC2)c2cc(Cl)c(NCCOCCO)cc2c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.37
ALDH1A1 P00352 6/20 0.35
KDM4E B2RXH2 5/20 0.35
LMNA P02545 5/20 0.35
HPGD P15428 3/20 0.35
MAPT P10636 2/20 0.35
HSD17B10 Q99714 2/20 0.35
TP53 P04637 1/20 0.35
USP2 O75604 1/20 0.35
MAPK1 P28482 1/20 0.35
GSK3B P49841 3/20 0.35
MEN1 O00255 1/20 0.34
RECQL P46063 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
S1PR2 O95136 2/20 0.34
CYP1A2 P05177 1/20 0.33
TOP2A P11388 1/20 0.33
CYP2C9 P11712 1/20 0.33
TOP2B Q02880 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
SCHEMBL3812467 0.91 KDM4E (0.42) ALDH1A1KDM4ELMNAHPGDMAPT
SCHEMBL4914088 0.87 ALDH1A1 (0.39) ADRB2ALDH1A1KDM4ELMNAHPGD
SCHEMBL4444378 0.86 GSK3B (0.36) ADRB2KDM4ELMNAMAPTTP53
SCHEMBL10243103 0.84 KDM4E (0.42) ALDH1A1KDM4ELMNAHPGDMAPT
SCHEMBL4913551 0.83 GSK3B (0.38) ADRB2ALDH1A1KDM4ELMNAHPGD
SCHEMBL13799119 0.83 KDM4E (0.43) ALDH1A1KDM4ELMNAHPGDMAPT
SCHEMBL3819773 0.82 KDM4E (0.44) ALDH1A1KDM4ELMNAHPGDMAPT
SCHEMBL335178 0.82 KDM4E (0.42) ALDH1A1KDM4ELMNAHPGDMAPT
SCHEMBL3815641 0.82 GSK3B (0.46) ALDH1A1KDM4ELMNAHPGDMAPT
SCHEMBL3809995 0.81 KDM4E (0.41) ALDH1A1KDM4ELMNAHPGDMAPT

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 3 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
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 ADRB2 3053/4885ALDH1A1 4011/4885KDM4E 3897/4885

“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.