SCHEMBL13097583

SCHEMBL13097583

Cc1c(COc2cccc(OCC3CCOCC3)c2)[nH]c2ccc(-c3cccnc3)cc2c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 7/20 1.00
KCNH2 Q12809 4/20 0.44
GSK3B P49841 3/20 0.44
ATM Q13315 3/20 0.42
ATR Q13535 3/20 0.42
DYRK1A Q13627 1/20 0.40
BRD4 O60885 2/20 0.39
ATAD2 Q6PL18 1/20 0.39
CHRNB1 P11230 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNB3 Q05901 1/20 0.38
CSF1R P07333 1/20 0.37
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 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
SCHEMBL13097596 0.92 CYP2D6 (0.85) CYP2D6KCNH2GSK3BPRMT5WDR77
SCHEMBL13097573 0.84 CYP2D6 (0.82) CYP2D6
SCHEMBL13097571 0.83 CYP2D6 (0.79) CYP2D6
SCHEMBL13097576 0.83 CYP2D6 (0.79) CYP2D6
SCHEMBL13097574 0.83 CYP2D6 (0.79) CYP2D6
SCHEMBL13097570 0.83 CYP2D6 (0.79) CYP2D6BRD4
SCHEMBL3101982 0.83 CYP2D6 (1.00) CYP2D6BRD4
SCHEMBL3103270 0.81 CYP2D6 (0.70) CYP2D6GSK3B
SCHEMBL13097967 0.81 CYP2D6 (0.75) CYP2D6
SCHEMBL13097622 0.80 CYP2D6 (0.84) CYP2D6BRD4CHRNB2PRMT5WDR77

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 230/4885KCNH2 2819/4885GSK3B 576/4885

“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.