SCHEMBL13107293

SCHEMBL13107293

CCCCOc1c(C)c(COc2cncc(OCC3CCOCC3)c2)nc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 4/20 0.43
HTR4 Q13639 4/20 0.37
KCNH2 Q12809 2/20 0.35
TLR7 Q9NYK1 1/20 0.35
P2RY12 Q9H244 1/20 0.35
RIPK2 O43353 1/20 0.35
GPBAR1 Q8TDU6 1/20 0.34
CYSLTR2 Q9NS75 1/20 0.34
CYSLTR1 Q9Y271 1/20 0.34
PDE2A O00408 1/20 0.34
ADAM17 P78536 2/20 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
SCHEMBL13107175 0.93 CYP2D6 (0.50) CYP2D6HTR4KCNH2TLR7P2RY12
SCHEMBL13107197 0.93 CYP2D6 (0.42) CYP2D6HTR4KCNH2TLR7P2RY12
SCHEMBL13106687 0.92 PDE2A (0.40) CYP2D6TLR7GPBAR1CYSLTR2CYSLTR1
SCHEMBL13349781 0.92 CYP2D6 (0.43) CYP2D6HTR4KCNH2TLR7P2RY12
SCHEMBL13349856 0.91 CYP2D6 (0.43) CYP2D6HTR4KCNH2TLR7P2RY12
SCHEMBL13106246 0.91 CYP2D6 (0.43) CYP2D6HTR4KCNH2TLR7P2RY12
SCHEMBL13106256 0.90 CYP2D6 (0.42) CYP2D6HTR4KCNH2TLR7P2RY12
SCHEMBL13349838 0.90 CYP2D6 (0.42) CYP2D6HTR4KCNH2TLR7P2RY12
SCHEMBL13107270 0.90 CYP2D6 (0.42) CYP2D6HTR4KCNH2TLR7P2RY12
SCHEMBL13097063 0.89 CYP2D6 (0.44) CYP2D6HTR4KCNH2RIPK2PDE2A

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 3 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
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 230/4885HTR4 3056/4885KCNH2 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.