SCHEMBL13097558

SCHEMBL13097558

Cc1c(COc2ccc(F)c(OCC3CCOCC3)c2)[nH]c2ccccc2c1=O

nearest known ligand 0.77

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 8/20 0.77
RORC P51449 1/20 0.38
CTSV O60911 2/20 0.38
CTSL P07711 2/20 0.38
BRD4 O60885 1/20 0.38
DUT P33316 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
S1PR2 O95136 1/20 0.34
GRM2 Q14416 2/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
SCN9A Q15858 1/20 0.33
BACE1 P56817 1/20 0.33
BACE2 Q9Y5Z0 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
SCHEMBL13097557 0.96 CYP2D6 (0.77) CYP2D6RORCCTSVCTSLBRD4
SCHEMBL14678838 0.90 CYP2D6 (0.72) CYP2D6RORCCTSVCTSLBRD4
SCHEMBL3099632 0.88 CYP2D6 (0.74) CYP2D6CTSVCTSLBRD4KDM4E
SCHEMBL13097590 0.88 CYP2D6 (0.86) CYP2D6CTSVCTSLBRD4KDM4E
SCHEMBL3101982 0.87 CYP2D6 (1.00) CYP2D6CTSVCTSLBRD4KDM4E
SCHEMBL13097594 0.86 CYP2D6 (0.84) CYP2D6RORCCTSVCTSLBRD4
SCHEMBL3094940 0.85 CYP2D6 (0.71) CYP2D6BRD4KDM4ELMNAMAPT
SCHEMBL13097559 0.84 CYP2D6 (0.87) CYP2D6CTSVCTSLBRD4KDM4E
SCHEMBL3101852 0.84 CYP2D6 (0.69) CYP2D6KDM4ELMNAMAPTHPGD
SCHEMBL13097564 0.83 CYP2D6 (0.85) CYP2D6CTSVCTSLBRD4KDM4E

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 5 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
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 230/4885RORC 1412/4885CTSV 1341/4885

“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.