SCHEMBL13097592

SCHEMBL13097592

Cc1c(COc2cccc(CC(=O)N3CCOCC3)c2)[nH]c2ccccc2c1=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 8/20 0.61
HTT P42858 3/20 0.51
HSD17B10 Q99714 2/20 0.51
KDM4E B2RXH2 1/20 0.51
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
HPGD P15428 1/20 0.51
PDE3B Q13370 1/20 0.51
PDE3A Q14432 1/20 0.51
ALDH1A1 P00352 1/20 0.48
NAAA Q02083 1/20 0.46
TSHR P16473 2/20 0.45
TP53 P04637 2/20 0.45
ALOX15 P16050 1/20 0.45
RECQL P46063 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL13097580 0.89 CYP2D6 (0.65) CYP2D6HTTHSD17B10KDM4ELMNA
SCHEMBL13097626 0.82 CYP2D6 (0.68) CYP2D6HTTHSD17B10KDM4ELMNA
SCHEMBL13097579 0.80 CYP2D6 (0.67) CYP2D6HTTKDM4EALDH1A1TSHR
SCHEMBL13097640 0.79 CYP2D6 (0.69) CYP2D6HTTHSD17B10KDM4ELMNA
SCHEMBL13097842 0.78 CYP2D6 (0.62) CYP2D6HTTHSD17B10KDM4ELMNA
SCHEMBL13097792 0.78 KMT2A (0.51) CYP2D6HTTHSD17B10KDM4ELMNA
SCHEMBL13097572 0.77 CYP2D6 (0.75) CYP2D6
SCHEMBL3094832 0.77 CYP2D6 (0.61) CYP2D6HTTHSD17B10KDM4ELMNA
SCHEMBL13097639 0.77 CYP2D6 (0.66) CYP2D6HTTHSD17B10KDM4ELMNA
SCHEMBL13097897 0.76 CYP2D6 (0.78) CYP2D6HTTHSD17B10KDM4ELMNA

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 230/4885HTT 4209/4885HSD17B10 164/4885

“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.