SCHEMBL13097575

SCHEMBL13097575

Cc1c(COc2cccc(OCC3CCN(S(C)(=O)=O)CC3)c2)[nH]c2ccccc2c1=O

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 8/20 0.72
ALK Q9UM73 1/20 0.44
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
DUT P33316 1/20 0.39
F2 P00734 1/20 0.38
PRMT5 O14744 2/20 0.37
MAOA P21397 3/20 0.37
MAOB P27338 3/20 0.37
ACHE P22303 2/20 0.37
CTSV O60911 1/20 0.36
CTSL P07711 1/20 0.36
MGLL Q99685 1/20 0.36
BRD4 O60885 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
SCHEMBL3095845 0.85 CYP2D6 (0.72) CYP2D6CYP4F2CYP4A11F2MGLL
SCHEMBL13097607 0.85 CYP2D6 (0.80) CYP2D6MAOAMAOBACHECTSV
SCHEMBL13097629 0.85 CYP2D6 (0.80) CYP2D6MAOACTSVCTSL
SCHEMBL3101982 0.84 CYP2D6 (1.00) CYP2D6CTSVCTSLBRD4
SCHEMBL13097578 0.83 CYP2D6 (0.77) CYP2D6MAOAMAOBCTSVCTSL
SCHEMBL13097912 0.82 CYP2D6 (0.68) CYP2D6F2MGLL
SCHEMBL13097897 0.81 CYP2D6 (0.78) CYP2D6MGLL
SCHEMBL13097559 0.77 CYP2D6 (0.87) CYP2D6F2CTSVCTSLBRD4
SCHEMBL3097872 0.77 MAOB (0.48) CYP2D6CYP4F2CYP4A11DUTPRMT5
SCHEMBL13097590 0.77 CYP2D6 (0.86) CYP2D6MAOAMAOBACHECTSV

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 230/4885ALK 4758/4885CYP4F2 333/4885

“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.