SCHEMBL13097633

SCHEMBL13097633

Cc1c(COC2CCN(C(=O)C3CCOCC3)CC2)[nH]c2ccc(F)cc2c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.43
TLR9 Q9NR96 3/20 0.42
TLR8 Q9NR97 3/20 0.42
TLR7 Q9NYK1 3/20 0.42
CYP2D6 P10635 3/20 0.41
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
PIK3CG P48736 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
HSD11B1 P28845 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HPGD P15428 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CHRM4 P08173 1/20 0.37
SPR P35270 1/20 0.36
APOL1 O14791 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL13097634 0.88 TLR9 (0.45) MGLLTLR9TLR8TLR7CYP2D6
SCHEMBL13097645 0.86 CYP2D6 (0.53) TLR9TLR8TLR7CYP2D6PIK3CD
SCHEMBL13097630 0.81 BRD3 (0.39) MGLLTLR9TLR8TLR7KMT2A
SCHEMBL13097666 0.81 CYP2D6 (0.45) CYP2D6HPGDKDM4EALDH1A1CHRM4
SCHEMBL13097669 0.81 CYP2D6 (0.45) CYP2D6HPGDKDM4EALDH1A1CHRM4
SCHEMBL13097608 0.80 GSK3B (0.42) CYP2D6KMT2AKDM4EALDH1A1LMNA
SCHEMBL13097667 0.80 CYP2D6 (0.44) CYP2D6MEN1KMT2AKDM4EALDH1A1
SCHEMBL13097839 0.79 HSD11B1 (0.41) HSD11B1MEN1KMT2AALDH1A1
SCHEMBL13097723 0.78 CYP2D6 (0.43) CYP2D6MEN1KMT2AHPGDKDM4E
SCHEMBL13097661 0.77 CYP2D6 (0.43) CYP2D6PIK3CDPIK3CAPIK3CBPIK3CG

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-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

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 MGLL 393/4885TLR9 2198/4885TLR8 1995/4885

“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.