SCHEMBL13097645

SCHEMBL13097645

Cc1c(COc2cccc(OC3CCN(C(=O)C4CCOCC4)CC3)c2)[nH]c2ccc(F)cc2c1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 7/20 0.53
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HRH3 Q9Y5N1 2/20 0.41
RAB9A P51151 1/20 0.41
PDE3B Q13370 4/20 0.40
PDE3A Q14432 4/20 0.40
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
PIK3CG P48736 1/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TLR9 Q9NR96 1/20 0.38
TLR8 Q9NR97 1/20 0.38
TLR7 Q9NYK1 1/20 0.38

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
SCHEMBL13097639 0.91 CYP2D6 (0.66) CYP2D6HRH3RAB9APDE3BPDE3A
SCHEMBL13097646 0.89 CYP2D6 (0.56) CYP2D6HRH3PDE3BPDE3AKDM4E
SCHEMBL13097644 0.88 CYP2D6 (0.48) CYP2D6MEN1KMT2APDE3BPDE3A
SCHEMBL13097633 0.86 MGLL (0.43) CYP2D6MEN1KMT2AHRH3PIK3CD
SCHEMBL13097666 0.82 CYP2D6 (0.45) CYP2D6PDE3BPDE3AKDM4ELMNA
SCHEMBL13097669 0.82 CYP2D6 (0.45) CYP2D6PDE3BPDE3AKDM4ELMNA
SCHEMBL13097897 0.82 CYP2D6 (0.78) CYP2D6MEN1KMT2APDE3BPDE3A
SCHEMBL13097667 0.82 CYP2D6 (0.44) CYP2D6MEN1KMT2APDE3BPDE3A
SCHEMBL13097570 0.81 CYP2D6 (0.79) CYP2D6PDE3BPDE3AKDM4ELMNA
SCHEMBL13097640 0.80 CYP2D6 (0.69) CYP2D6HRH3PDE3BPDE3AKDM4E

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 CYP2D6 230/4885MEN1 4763/4885KMT2A 1299/4885

“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.