SCHEMBL3289239

SCHEMBL3289239

CCOC(=O)c1cn(N(C)C)c2cc(OCCNC(=O)OC(C)(C)C)ccc2c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.42
CA1 P00915 5/20 0.42
CA2 P00918 5/20 0.42
CA9 Q16790 5/20 0.42
PDK2 Q15119 1/20 0.40
PTGS2 P35354 1/20 0.39
DYRK1A Q13627 1/20 0.39
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
CYP1A1 P04798 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2B6 P20813 1/20 0.38
CYP2C19 P33261 1/20 0.38
CYP3A43 Q9HB55 1/20 0.38
BCHE P06276 2/20 0.37
CNR2 P34972 2/20 0.37
BRD4 O60885 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37
PIM1 P11309 1/20 0.37

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
SCHEMBL3293095 0.97 CA12 (0.43) CA12CA1CA2CA9PDK2
SCHEMBL3291726 0.89 CA12 (0.44) CA12CA1CA2CA9PDK2
SCHEMBL3290602 0.86 CA12 (0.45) CA12CA1CA2CA9PDK2
SCHEMBL3289243 0.80 LMNA (0.40) PTGS2POLBBRD4ADORA3ADORA2A
SCHEMBL3288787 0.79 DDB1 (0.41) PTGS2BCHECNR2ADORA3ADORA2A
SCHEMBL3291116 0.78 LMNA (0.37) PTGS2BCHECNR2ADORA3ADORA2A
SCHEMBL18185304 0.76 CA12 (0.52) CA12CA1CA2CA9PDK2
SCHEMBL3816031 0.75 LMNA (0.51) PTGS2POLBLMNAHPGDKDM4E
SCHEMBL3296347 0.74 PIM1 (0.53) CA12CA1CA2CA9POLB
SCHEMBL17960659 0.72 CA12 (0.60) CA12CA1CA2CA9PDK2

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-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

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 CA12 4825/4885CA1 4883/4885CA2 4797/4885
US-20080090773-A1 Macrolones - Amino Substituted Quinolones MRPL21, Q6ZSR9, QARS1 CA12 4859/4885CA1 4884/4885CA2 4794/4885

“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.