SCHEMBL4166123

SCHEMBL4166123

CCOC(=O)c1cn2c3c(cc(Br)cc3c1=O)COCC2

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 3/20 0.44
HPGD P15428 3/20 0.44
HSD17B10 Q99714 2/20 0.44
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRB2 P47870 1/20 0.41
RXFP1 Q9HBX9 2/20 0.39
STAT3 P40763 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
KMT2A Q03164 3/20 0.37
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL3811645 0.86 LMNA (0.49) LMNAALDH1A1KDM4EHPGDHSD17B10
SCHEMBL5442506 0.86 LMNA (0.51) LMNAALDH1A1KDM4EHPGDHSD17B10
SCHEMBL4889016 0.83 KDM4E (0.39) LMNAALDH1A1KDM4EHPGDHSD17B10
SCHEMBL4186260 0.77 KDM4E (0.41) LMNAALDH1A1KDM4EHPGDHSD17B10
SCHEMBL14529462 0.75 CYP1A2 (0.44) LMNAALDH1A1KDM4EHPGDHSD17B10
SCHEMBL4136851 0.74 KDM4E (0.54) LMNAALDH1A1KDM4EHPGDHSD17B10
SCHEMBL4136849 0.74 KDM4E (0.54) LMNAALDH1A1KDM4EHPGDHSD17B10
SCHEMBL3814595 0.73 KMT2A (0.44) LMNAALDH1A1KDM4EHPGDHSD17B10
SCHEMBL3810010 0.73 KMT2A (0.44) LMNAALDH1A1KDM4EHPGDHSD17B10
SCHEMBL6724048 0.73 LMNA (0.52) LMNAALDH1A1KDM4EHPGDHSD17B10

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 2 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

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 LMNA 1055/4885ALDH1A1 4011/4885KDM4E 3897/4885
US-20080096829-A1 Macrolone Compounds MRPL21, MRPS18A, MRPL19 LMNA 896/4885ALDH1A1 3772/4885KDM4E 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.