SCHEMBL3106429

SCHEMBL3106429

Cc1c(COc2ccc3c(c2)N(C(=O)CC2CCOCC2)CCC3)[nH]c2ccc(F)cc2c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 5/20 0.47
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 4/20 0.36
HPGD P15428 3/20 0.36
HSD17B10 Q99714 3/20 0.36
AKT1 P31749 2/20 0.36
MAPK1 P28482 1/20 0.36
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
CYP11B2 P19099 1/20 0.35
RORC P51449 1/20 0.35
HDAC1 Q13547 3/20 0.34
TLR9 Q9NR96 1/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
GAA P10253 1/20 0.34
CYP1A2 P05177 1/20 0.34

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
SCHEMBL13097662 0.90 CYP2D6 (0.44) CYP2D6KDM4EALDH1A1HPGDHSD17B10
SCHEMBL13097660 0.85 CYP2D6 (0.45) CYP2D6ALDH1A1AKT1MAPK1MAPT
SCHEMBL13097652 0.85 CYP2D6 (0.47) CYP2D6KDM4EALDH1A1HPGDHSD17B10
SCHEMBL13097664 0.85 CYP2D6 (0.47) CYP2D6KDM4EALDH1A1HPGDHSD17B10
SCHEMBL13097646 0.79 CYP2D6 (0.56) CYP2D6KDM4EHPGDHSD17B10MAPT
SCHEMBL13097668 0.78 CYP2D6 (0.47) CYP2D6KDM4EALDH1A1HPGDHSD17B10
SCHEMBL13097634 0.78 TLR9 (0.45) CYP2D6KDM4EALDH1A1HPGDHSD17B10
SCHEMBL13097669 0.77 CYP2D6 (0.45) CYP2D6KDM4EALDH1A1HPGDHSD17B10
SCHEMBL13097666 0.77 CYP2D6 (0.45) CYP2D6KDM4EALDH1A1HPGDHSD17B10
SCHEMBL13106284 0.77 RORC (0.34) KDM4EALDH1A1HPGDHSD17B10AKT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367702-B2 Quinolone derivative ASTELLAS PHARMA INC. (JP) 2013-02-05 US claimed
US-20100256113-A1 QUINOLONE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-10-07 US claimed
EP-2194044-A1 QUINOLONE DERIVATIVE Astellas Pharma Inc. (JP) 2010-06-09 EP claimed
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-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
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 230/4885KDM4E 1769/4885ALDH1A1 524/4885

“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.