SCHEMBL13097052

SCHEMBL13097052

Cc1c(COc2cncc(OCC3CCOCC3)c2)nc2ccc(F)cc2c1OCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 4/20 0.39
PDE2A O00408 1/20 0.36
DHODH Q02127 1/20 0.35
PARP14 Q460N5 1/20 0.34
MAOA P21397 2/20 0.34
ACHE P22303 2/20 0.34
MAOB P27338 2/20 0.34
GRM5 P41594 1/20 0.34
RIPK2 O43353 1/20 0.34
CNR1 P21554 2/20 0.33
CNR2 P34972 2/20 0.33
ALOX5 P09917 1/20 0.33
TLR7 Q9NYK1 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
SCHEMBL13096951 0.93 CYP2D6 (0.46) CYP2D6DHODHPARP14MAOAACHE
SCHEMBL13097063 0.91 CYP2D6 (0.44) CYP2D6PDE2APARP14MAOAACHE
SCHEMBL13106639 0.88 CYP2D6 (0.36) CYP2D6PDE2AGRM5RIPK2TLR7
SCHEMBL13097145 0.87 CYP2D6 (0.38) CYP2D6DHODHPARP14MAOAACHE
SCHEMBL13097019 0.86 CYP2D6 (0.43) CYP2D6PARP14CNR1CNR2ALOX5
SCHEMBL13097038 0.86 CYP2D6 (0.40) CYP2D6DHODHPARP14MAOBCNR1
SCHEMBL13096973 0.84 CYP2D6 (0.47) CYP2D6PARP14MAOBCNR1CNR2
SCHEMBL3103759 0.83 CYP2D6 (0.52) CYP2D6PARP14MAOBCNR1CNR2
SCHEMBL13096977 0.83 CYP2D6 (0.46) CYP2D6PARP14MAOAACHEMAOB
SCHEMBL13096975 0.83 CYP2D6 (0.46) CYP2D6PARP14ACHEMAOBCNR1

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 2 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-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 230/4885PDE2A 2590/4885DHODH 294/4885

“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.