SCHEMBL3289956

SCHEMBL3289956

CCOC(=O)c1cn(N(C)C)c2ncc(Br)cc2c1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
GABRA1 P14867 1/20 0.44
GABRB1 P18505 1/20 0.44
GABRA3 P34903 1/20 0.44
GABRB2 P47870 1/20 0.44
RAB9A P51151 5/20 0.42
NPC1 O15118 4/20 0.42
MAPK1 P28482 1/20 0.41
KDM4E B2RXH2 4/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
GAA P10253 4/20 0.40
NPSR1 Q6W5P4 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
ALDH1A1 P00352 3/20 0.40
GLA P06280 3/20 0.40
PDE4B Q07343 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP1A2 P05177 2/20 0.39
OPRK1 P41145 1/20 0.39

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
SCHEMBL23646765 0.86 LMNA (0.44) LMNAGABRA1GABRB1GABRA3GABRB2
SCHEMBL21815626 0.85 LMNA (0.53) LMNAGABRA1GABRB1GABRA3GABRB2
SCHEMBL20521059 0.84 KDM4E (0.40) LMNARAB9ANPC1KDM4EKMT2A
SCHEMBL29705131 0.84 KDM4E (0.40) LMNARAB9ANPC1KDM4EKMT2A
SCHEMBL3696586 0.84 LMNA (0.64) LMNAGABRA1GABRB1GABRA3GABRB2
SCHEMBL27696252 0.83 HSD17B10 (0.36) LMNAMAPK1KDM4EKMT2AMEN1
SCHEMBL3695562 0.83 LMNA (0.52) LMNAGABRA1GABRB1GABRA3GABRB2
SCHEMBL3693779 0.81 LMNA (0.55) LMNAGABRA1GABRB1GABRA3GABRB2
SCHEMBL13049793 0.80 LMNA (0.48) LMNAGABRA1GABRB1GABRA3GABRB2
SCHEMBL3702572 0.80 LMNA (0.48) LMNAGABRA1GABRB1GABRA3GABRB2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7718621-B2 Macrolones—amino substituted quinolones GLAXO GROUP LTD. (GB) 2010-05-18 US disclosed
US-20090062218-A1 MACROLONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-03-05 US disclosed
US-20080090773-A1 Macrolones - Amino Substituted Quinolones GLAXO GROUP LIMITED (GB) 2008-04-17 US disclosed
EP-1824871-A1 MACROLONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-08-29 EP disclosed
EP-1824870-A1 MACROLONES - AMINO SUBSTITUTED QUINOLONES GLAXO GROUP LIMITED (GB) 2007-08-29 EP disclosed
WO-2006050940-A1 MACROLONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2006-05-18 WO disclosed
WO-2006050942-A1 MACROLONES - AMINO SUBSTITUTED QUINOLONES 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 LMNA 1055/4885GABRA1 3341/4885GABRB1 3850/4885
US-20080090773-A1 Macrolones - Amino Substituted Quinolones MRPL21, Q6ZSR9, QARS1 LMNA 1318/4885GABRA1 3028/4885GABRB1 3592/4885

“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.