SCHEMBL13097756

SCHEMBL13097756

Cc1c(CCC2CCN(C(=O)C3(C)CC3)CC2)[nH]c2ccccc2c1=O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.39
TLR9 Q9NR96 4/20 0.39
TLR8 Q9NR97 4/20 0.39
TLR7 Q9NYK1 4/20 0.39
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NAMPT P43490 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
AKR1C3 P42330 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
MCL1 Q07820 1/20 0.36

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
SCHEMBL28784783 0.86 CYP2D6 (0.43) CYP2D6MAPTHTTSMN1; SMN2MEN1
SCHEMBL13097727 0.85 SMN1; SMN2 (0.46) CYP2D6MAPTHTTSMN1; SMN2MEN1
SCHEMBL3099236 0.84 SMN1; SMN2 (0.54) CYP2D6MAPTHTTSMN1; SMN2MEN1
SCHEMBL13097746 0.84 MAPT (0.43) CYP2D6MAPTHTTSMN1; SMN2NPC1
SCHEMBL13097901 0.83 MAPK10 (0.43) CYP2D6MAPTHTTSMN1; SMN2MEN1
SCHEMBL13097758 0.82 NPC1 (0.45) CYP2D6TLR9TLR8TLR7MAPT
SCHEMBL13097900 0.82 MAPT (0.41) CYP2D6TLR9TLR8TLR7MAPT
SCHEMBL13097778 0.81 CYP2D6 (0.43) CYP2D6MAPTHTTSMN1; SMN2NPC1
SCHEMBL13097751 0.80 MAPK10 (0.48) CYP2D6TLR9TLR8TLR7MAPT
SCHEMBL13097902 0.80 CYP2D6 (0.49) CYP2D6TLR9TLR8TLR7MAPT

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 230/4885TLR9 2198/4885TLR8 1995/4885

“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.