SCHEMBL3109558

SCHEMBL3109558

Cc1c(COc2cc(OCCC(C)(C)O)ccn2)nc2ccccc2c1OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.54
GABRA5 P31644 1/20 0.40
PDE2A O00408 1/20 0.35
PDE10A Q9Y233 1/20 0.35
STAT3 P40763 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 3/20 0.34
TDP1 Q9NUW8 1/20 0.34
CYP3A4 P08684 1/20 0.33
LNPEP Q9UIQ6 2/20 0.33
PLAU P00749 1/20 0.32
PLAT P00750 1/20 0.32
MAOA P21397 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ACSS2 Q9NR19 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL13097266 0.95 CYP2D6 (0.49) CYP2D6GABRA5STAT3HTTSMN1; SMN2
SCHEMBL13097270 0.91 CYP2D6 (0.42) CYP2D6GABRA5PDE2APDE10ASTAT3
SCHEMBL13107309 0.90 CYP2D6 (0.53) CYP2D6PDE2APDE10AHTTSMN1; SMN2
SCHEMBL13097261 0.90 CYP2D6 (0.43) CYP2D6GABRA5STAT3HTTSMN1; SMN2
SCHEMBL13097106 0.89 MAOB (0.41) CYP2D6SMN1; SMN2MAPTTDP1
SCHEMBL13106683 0.86 CYP2D6 (0.49) CYP2D6PDE2APDE10AHTTSMN1; SMN2
SCHEMBL13097229 0.86 GABRA5 (0.42) CYP2D6GABRA5STAT3HTTSMN1; SMN2
SCHEMBL13097311 0.85 MAOB (0.39) CYP2D6STAT3HTTSMN1; SMN2MAPT
SCHEMBL13097278 0.85 CYP2D6 (0.37) CYP2D6STAT3HTTSMN1; SMN2MAPT
SCHEMBL13097245 0.84 GABRA5 (0.39) CYP2D6GABRA5MAPTTDP1

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 230/4885GABRA5 3532/4885PDE2A 2590/4885

“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.