SCHEMBL3290602

SCHEMBL3290602

CN(C)n1cc(C(=O)O)c(=O)c2ccc(OCCCNC(=O)OC(C)(C)C)cc21

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.45
CA1 P00915 5/20 0.45
CA2 P00918 5/20 0.45
CA9 Q16790 5/20 0.45
CYP1A1 P04798 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2B6 P20813 1/20 0.43
CYP2C19 P33261 1/20 0.43
CYP3A43 Q9HB55 1/20 0.43
DYRK1A Q13627 1/20 0.42
PDK2 Q15119 1/20 0.40
BRD4 O60885 3/20 0.39
SUCNR1 Q9BXA5 2/20 0.38
BCHE P06276 1/20 0.37
CNR2 P34972 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
SCHEMBL3291726 0.97 CA12 (0.44) CA12CA1CA2CA9CYP1A1
SCHEMBL3293095 0.89 CA12 (0.43) CA12CA1CA2CA9CYP1A1
SCHEMBL3289239 0.86 CA12 (0.42) CA12CA1CA2CA9CYP1A1
SCHEMBL3289082 0.81 KDM4E (0.41)
SCHEMBL3293923 0.80 P2RY14 (0.39) CA1CA2BRD4CNR2
Hydrochloric Acid SCHEMBL3296362 0.80 KDM4E (0.40)
SCHEMBL3290775 0.80 KDM4E (0.41)
Hydrochloric Acid SCHEMBL3289006 0.79 KDM4E (0.41)
SCHEMBL3293003 0.78 IDO1 (0.36) CYP1A1CYP2D6CYP2B6CYP2C19CYP3A43
SCHEMBL3288612 0.77 DDB1 (0.43) BCHECNR2

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 4 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

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.