SCHEMBL13097604

SCHEMBL13097604

Cc1c(COc2cccc(OCCOCC3CCOCC3)c2)[nH]c2ccc(F)cc2c1=O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 8/20 0.68
MAPK1 P28482 1/20 0.36
DRD2 P14416 2/20 0.36
SLC6A4 P31645 2/20 0.36
HTR2B P41595 1/20 0.36
MAOB P27338 2/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
CTSV O60911 1/20 0.34
CTSL P07711 1/20 0.34
MAOA P21397 1/20 0.33
ACHE P22303 1/20 0.33
DHODH Q02127 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL13097570 0.92 CYP2D6 (0.79) CYP2D6MAPK1DRD2SLC6A4HTR2B
SCHEMBL13097589 0.90 CYP2D6 (0.84) CYP2D6KDM4EPDE3BPDE3ACTSV
SCHEMBL13097617 0.83 CYP2D6 (0.66) CYP2D6MAPK1DRD2SLC6A4HTR2B
SCHEMBL13097573 0.83 CYP2D6 (0.82) CYP2D6MAOBKDM4EALDH1A1PDE3B
SCHEMBL13097614 0.82 CYP2D6 (0.54) CYP2D6KDM4EALDH1A1MAOAHTT
SCHEMBL13097576 0.81 CYP2D6 (0.79) CYP2D6MAOBPDE3BPDE3AMAOA
SCHEMBL13097574 0.81 CYP2D6 (0.79) CYP2D6MAOBKDM4EALDH1A1PDE3B
SCHEMBL13097571 0.81 CYP2D6 (0.79) CYP2D6MAOBKDM4EALDH1A1PDE3B
SCHEMBL3101982 0.81 CYP2D6 (1.00) CYP2D6KDM4EPDE3BPDE3ACTSV
SCHEMBL3106719 0.80 CYP2D6 (0.61) CYP2D6MAPK1MAOBKDM4EALDH1A1

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 230/4885MAPK1 1589/4885DRD2 3106/4885

“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.