SCHEMBL13097063

SCHEMBL13097063

Cc1c(COc2cncc(OCC3CCOCC3)c2)nc2ccccc2c1OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 4/20 0.44
PARP14 Q460N5 1/20 0.37
KCNH2 Q12809 2/20 0.36
HTR4 Q13639 2/20 0.36
PDE2A O00408 1/20 0.36
RIPK2 O43353 1/20 0.36
CNR1 P21554 2/20 0.35
CNR2 P34972 2/20 0.35
MAOA P21397 2/20 0.35
MAOB P27338 2/20 0.35
ACHE P22303 1/20 0.35
STAT3 P40763 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PDGFRB P09619 1/20 0.34
PDGFRA P16234 1/20 0.34
CHRNB1 P11230 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 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
SCHEMBL3103759 0.93 CYP2D6 (0.52) CYP2D6PARP14KCNH2HTR4CNR1
SCHEMBL13096916 0.92 CYP2D6 (0.44) CYP2D6PARP14KCNH2HTR4CNR1
SCHEMBL13097011 0.92 CYP2D6 (0.43) CYP2D6PARP14KCNH2HTR4CNR1
SCHEMBL13097264 0.91 PDE2A (0.39) CYP2D6PARP14PDE2ACNR1CNR2
SCHEMBL13096935 0.91 CYP2D6 (0.44) CYP2D6PARP14KCNH2HTR4CNR1
SCHEMBL13096930 0.91 CYP2D6 (0.44) CYP2D6PARP14KCNH2HTR4CNR1
SCHEMBL13097052 0.91 CYP2D6 (0.39) CYP2D6PARP14PDE2ARIPK2CNR1
SCHEMBL13097019 0.90 CYP2D6 (0.43) CYP2D6PARP14KCNH2HTR4CNR1
SCHEMBL13107293 0.89 CYP2D6 (0.43) CYP2D6KCNH2HTR4PDE2ARIPK2
SCHEMBL13096983 0.89 CYP2D6 (0.43) CYP2D6PARP14KCNH2HTR4CNR1

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 230/4885PARP14 291/4885KCNH2 2819/4885

“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.