SCHEMBL13097586

SCHEMBL13097586

Cc1c(COc2cccc(OCCC3CCOCC3)c2)[nH]c2ccccc2c1=O

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 9/20 0.82
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
CTSV O60911 1/20 0.38
CTSL P07711 1/20 0.38
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
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
PDE2A O00408 1/20 0.36
MCL1 Q07820 3/20 0.36
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP7 P09237 1/20 0.34
MMP10 P09238 1/20 0.34
MMP9 P14780 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
SCHEMBL13097603 0.95 CYP2D6 (0.81) CYP2D6RAB9ANPC1CTSVCTSL
SCHEMBL13349931 0.92 CYP2D6 (0.69) CYP2D6RAB9ANPC1CTSVCTSL
SCHEMBL3101982 0.90 CYP2D6 (1.00) CYP2D6CTSVCTSLKDM4ELMNA
SCHEMBL13097589 0.90 CYP2D6 (0.84) CYP2D6RAB9ANPC1CTSVCTSL
SCHEMBL13097655 0.88 CYP2D6 (0.67) CYP2D6RAB9ANPC1CTSVCTSL
SCHEMBL3092104 0.88 CYP2D6 (0.68) CYP2D6CTSVCTSLKDM4ELMNA
SCHEMBL13097975 0.87 CYP2D6 (0.80) CYP2D6CTSVCTSLKDM4ELMNA
SCHEMBL13097885 0.84 CYP2D6 (0.75) CYP2D6CTSVCTSLKDM4ELMNA
SCHEMBL13097739 0.83 CYP2D6 (0.68) CYP2D6CTSVCTSLKDM4ELMNA
SCHEMBL13097559 0.83 CYP2D6 (0.87) CYP2D6CTSVCTSLKDM4ELMNA

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 230/4885RAB9A 2422/4885NPC1 581/4885

“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.