SCHEMBL13097622

SCHEMBL13097622

Cc1c(COc2cncc(OCC3CCOCC3)c2)[nH]c2ccccc2c1=O

nearest known ligand 0.84

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 9/20 0.84
CYP11B2 P19099 1/20 0.37
RIPK2 O43353 1/20 0.36
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
XDH P47989 1/20 0.36
BRD4 O60885 1/20 0.35
CTSV O60911 1/20 0.35
CTSL P07711 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
PDE9A O76083 1/20 0.35
MAPK1 P28482 1/20 0.34
MAOA P21397 1/20 0.34
ACHE P22303 1/20 0.34
MAOB P27338 1/20 0.34
TLR7 Q9NYK1 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
SCHEMBL3101982 0.91 CYP2D6 (1.00) CYP2D6BRD4CTSVCTSLPDE9A
SCHEMBL13349931 0.91 CYP2D6 (0.69) CYP2D6CTSVCTSL
SCHEMBL13097559 0.90 CYP2D6 (0.87) CYP2D6XDHBRD4CTSVCTSL
SCHEMBL13097590 0.90 CYP2D6 (0.86) CYP2D6XDHBRD4CTSVCTSL
SCHEMBL13097564 0.90 CYP2D6 (0.85) CYP2D6XDHBRD4CTSVCTSL
SCHEMBL13097563 0.90 CYP2D6 (0.85) CYP2D6BRD4CTSVCTSLPDE9A
SCHEMBL13349902 0.89 CYP2D6 (0.84) CYP2D6XDHBRD4CTSVCTSL
SCHEMBL13097594 0.89 CYP2D6 (0.84) CYP2D6XDHBRD4CTSVCTSL
SCHEMBL13097617 0.88 CYP2D6 (0.66) CYP2D6CYP11B2RIPK2PRMT5WDR77
SCHEMBL13097890 0.88 CYP2D6 (0.82) CYP2D6XDHBRD4CTSVCTSL

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 4 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

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 230/4885CYP11B2 80/4885RIPK2 2858/4885

“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.