SCHEMBL4186452

SCHEMBL4186452

CCOC(=O)c1cn(CCCO)c2c(F)cc(I)cc2c1=O

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.47
STAT3 P40763 2/20 0.46
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 3/20 0.45
HPGD P15428 2/20 0.45
HSD17B10 Q99714 2/20 0.45
MAP2K2 P36507 1/20 0.43
MAP2K1 Q02750 1/20 0.43
LMNA P02545 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
ADRB2 P07550 1/20 0.42
HTT P42858 2/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
PKM P14618 1/20 0.37
CYP1A2 P05177 1/20 0.36
TNF P01375 1/20 0.36

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
SCHEMBL1432398 0.94 KMT2A (0.49) KMT2ASTAT3KDM4EALDH1A1HPGD
SCHEMBL14611497 0.85 KMT2A (0.42) KMT2ASTAT3KDM4EALDH1A1HPGD
SCHEMBL7935807 0.84 MAP2K2 (0.53) KMT2ASTAT3KDM4EALDH1A1HPGD
SCHEMBL1045535 0.81 KMT2A (0.43) KMT2ASTAT3KDM4EALDH1A1HPGD
SCHEMBL3289292 0.81 STAT3 (0.46) KMT2ASTAT3KDM4EALDH1A1HPGD
SCHEMBL3006908 0.81 LMNA (0.57) KMT2AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL11193162 0.79 STAT3 (0.61) KMT2ASTAT3KDM4EALDH1A1HPGD
SCHEMBL3291748 0.79 STAT3 (0.44) KMT2ASTAT3KDM4EALDH1A1HPGD
SCHEMBL28787971 0.77 KDM4E (0.47) KMT2AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL13447868 0.77 KMT2A (0.42) KMT2ASTAT3KDM4EALDH1A1HPGD

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 6 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-20080096829-A1 Macrolone Compounds GLAXO GROUP LIMITED (GB) 2008-04-24 US disclosed
EP-1824497-A1 MACROLONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-08-29 EP 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
WO-2006050943-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 (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-20090062218-A1 MACROLONE COMPOUNDS CYP51A1, MRPL21, MYD88 KMT2A 3931/4885STAT3 3815/4885KDM4E 3897/4885
US-20080096829-A1 Macrolone Compounds MRPL21, MRPS18A, MRPL19 KMT2A 4424/4885STAT3 4269/4885KDM4E 4136/4885

“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.