SCHEMBL13097668

SCHEMBL13097668

Cc1c(COc2cccc3c2CN(C(=O)CC2CCOCC2)CC3)[nH]c2ccc(F)cc2c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 4/20 0.47
ALDH1A1 P00352 4/20 0.43
GAA P10253 2/20 0.43
MEN1 O00255 2/20 0.37
MAPT P10636 2/20 0.37
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CYP1A2 P05177 1/20 0.37
POLB P06746 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TLR9 Q9NR96 1/20 0.37
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
BAZ2B Q9UIF8 1/20 0.37
NAMPT P43490 1/20 0.36
KDM4E B2RXH2 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
SCHEMBL13097667 0.90 CYP2D6 (0.44) CYP2D6ALDH1A1GAAMEN1MAPT
SCHEMBL13097652 0.88 CYP2D6 (0.47) CYP2D6ALDH1A1GAAMAPTHPGD
SCHEMBL13097664 0.88 CYP2D6 (0.47) CYP2D6ALDH1A1GAAMEN1MAPT
SCHEMBL13097660 0.84 CYP2D6 (0.45) CYP2D6ALDH1A1MAPTSMN1; SMN2CYP3A4
SCHEMBL13097646 0.82 CYP2D6 (0.56) CYP2D6MAPTHPGDTLR9TLR8
SCHEMBL13097634 0.81 TLR9 (0.45) CYP2D6ALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL3106429 0.78 CYP2D6 (0.47) CYP2D6ALDH1A1GAAMAPTCYP1A2
SCHEMBL13097201 0.78 PTGDR2 (0.42) ALDH1A1KMT2AS1PR5PTGDR2RORC
SCHEMBL13097666 0.77 CYP2D6 (0.45) CYP2D6ALDH1A1GAAMAPTHPGD
SCHEMBL13097669 0.77 CYP2D6 (0.45) CYP2D6ALDH1A1GAAMAPTHPGD

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 230/4885ALDH1A1 524/4885GAA 468/4885

“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.