SCHEMBL13097576

SCHEMBL13097576

Cc1c(COc2cccc(OCC3CCOCC3)c2)[nH]c2ccc(Cl)cc2c1=O

nearest known ligand 0.79

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 8/20 0.79
PTGS2 P35354 3/20 0.38
MAOB P27338 2/20 0.38
MAOA P21397 1/20 0.38
PTGER1 P34995 1/20 0.37
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
ALOX5 P09917 1/20 0.36
SLC16A3 O15427 1/20 0.36
SLC16A1 P53985 1/20 0.36
MCTS1 Q9ULC4 1/20 0.36
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
SIRT1 Q96EB6 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
SCHEMBL13097573 0.91 CYP2D6 (0.82) CYP2D6MAOBMAOAPDE3BPDE3A
SCHEMBL13097574 0.89 CYP2D6 (0.79) CYP2D6MAOBMAOAPDE3BPDE3A
SCHEMBL13097570 0.89 CYP2D6 (0.79) CYP2D6MAOBMAOAPDE3BPDE3A
SCHEMBL13097571 0.89 CYP2D6 (0.79) CYP2D6MAOBMAOAPDE3BPDE3A
SCHEMBL3101982 0.89 CYP2D6 (1.00) CYP2D6PDE3BPDE3ASLC16A3SLC16A1
SCHEMBL13097967 0.86 CYP2D6 (0.75) CYP2D6PTGER1PDE3BPDE3ASLC16A3
SCHEMBL13097581 0.84 CYP2D6 (0.72) CYP2D6PDE3BPDE3A
SCHEMBL13097596 0.84 CYP2D6 (0.85) CYP2D6NOS3NOS1NOS2
SCHEMBL13097583 0.83 CYP2D6 (1.00) CYP2D6
SCHEMBL13097559 0.82 CYP2D6 (0.87) CYP2D6NOS3NOS1NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367702-B2 Quinolone derivative ASTELLAS PHARMA INC. (JP) 2013-02-05 US disclosed
US-8367702-B2 Quinolone derivative ASTELLAS PHARMA INC. (JP) 2013-02-05 US disclosed
US-20100256113-A1 QUINOLONE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-10-07 US disclosed
US-20100256113-A1 QUINOLONE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-10-07 US disclosed
EP-2194044-A1 QUINOLONE DERIVATIVE Astellas Pharma Inc. (JP) 2010-06-09 EP 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 (1 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-20100256113-A1 QUINOLONE DERIVATIVE NQO1, NQO2, NADK CYP2D6 230/4885PTGS2 678/4885MAOB 200/4885

“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.