SCHEMBL13097004

SCHEMBL13097004

Cc1c(COc2cccc(OCCOCC3CCOCC3)c2)nc2ccccc2c1OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 4/20 0.44
PARP14 Q460N5 1/20 0.37
CNR1 P21554 3/20 0.36
CNR2 P34972 3/20 0.36
MAOB P27338 2/20 0.35
ALDH1A1 P00352 1/20 0.34
HTR6 P50406 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.34
KIT P10721 1/20 0.34
FLT3 P36888 1/20 0.34
MAPT P10636 1/20 0.34
KDR P35968 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
SCHEMBL3103759 0.92 CYP2D6 (0.52) CYP2D6PARP14CNR1CNR2MAOB
SCHEMBL13097038 0.91 CYP2D6 (0.40) CYP2D6PARP14CNR1CNR2MAOB
SCHEMBL13106481 0.91 CYP2D6 (0.43) CYP2D6ALDH1A1MAPT
SCHEMBL13096998 0.90 CYP2D6 (0.42) CYP2D6PARP14CNR1CNR2MAOB
SCHEMBL13097031 0.90 CYP2D6 (0.41) CYP2D6PARP14CNR1CNR2MAOB
SCHEMBL13096916 0.86 CYP2D6 (0.44) CYP2D6PARP14CNR1CNR2
SCHEMBL13097011 0.85 CYP2D6 (0.43) CYP2D6PARP14CNR1CNR2FLT3
SCHEMBL13097063 0.85 CYP2D6 (0.44) CYP2D6PARP14CNR1CNR2MAOB
SCHEMBL13096930 0.85 CYP2D6 (0.44) CYP2D6PARP14CNR1CNR2MAOB
SCHEMBL13096935 0.85 CYP2D6 (0.44) CYP2D6PARP14CNR1CNR2MAPT

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 291/4885CNR1 1403/4885

“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.