SCHEMBL3289243

SCHEMBL3289243

CCOC(=O)c1cn(N(C)C)c2ccc(SCCNC(=O)OC(C)(C)C)cc2c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
POLB P06746 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
ADORA2A P29274 1/20 0.35
KMT2A Q03164 3/20 0.35
MAPT P10636 3/20 0.35
ALDH1A1 P00352 3/20 0.35
IDO1 P14902 3/20 0.34
HPGD P15428 3/20 0.34
KDM4E B2RXH2 3/20 0.34
MEN1 O00255 2/20 0.34
THRB P10828 1/20 0.34
NPC1 O15118 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
BRD4 O60885 1/20 0.34
PTGS2 P35354 1/20 0.34
HSD17B10 Q99714 2/20 0.33
RAB9A P51151 1/20 0.33
MALT1 Q9UDY8 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
SCHEMBL3293003 0.89 IDO1 (0.36) LMNAADORA3ADORA2AMAPTALDH1A1
SCHEMBL3816675 0.88 LMNA (0.55) LMNAPOLBKMT2AMAPTALDH1A1
SCHEMBL3811662 0.83 LMNA (0.52) LMNAPOLBKMT2AMAPTALDH1A1
SCHEMBL3296288 0.83 BCHE (0.35) LMNAALDH1A1IDO1HPGDKDM4E
SCHEMBL3815910 0.83 LMNA (0.49) LMNAPOLBKMT2AMAPTALDH1A1
SCHEMBL3288787 0.82 DDB1 (0.41) LMNAADORA3ADORA2AKMT2AMAPT
Formic Acid SCHEMBL4392627 0.81 LMNA (0.49) LMNAPOLBKMT2AMAPTALDH1A1
SCHEMBL3291116 0.80 LMNA (0.37) LMNAADORA3ADORA2AKMT2AMAPT
SCHEMBL3289239 0.80 CA12 (0.42) LMNAPOLBADORA3ADORA2AMAPT
SCHEMBL3293095 0.79 CA12 (0.43) LMNAPOLBADORA3ADORA2AMAPT

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-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
CN-101098881-A Macrolones - amino substituted quinolones GLAXO GROUP LTD (GB) 2008-01-02 CN disclosed
EP-1824870-A1 MACROLONES - AMINO SUBSTITUTED QUINOLONES GLAXO GROUP LIMITED (GB) 2007-08-29 EP 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 1055/4885POLB 1357/4885ADORA3 4738/4885
US-20080090773-A1 Macrolones - Amino Substituted Quinolones MRPL21, Q6ZSR9, QARS1 LMNA 1318/4885POLB 1116/4885ADORA3 4470/4885

“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.