SCHEMBL13097571

SCHEMBL13097571

Cc1c(COc2cccc(OCC3CCOCC3)c2)[nH]c2ccc(Br)cc2c1=O

nearest known ligand 0.79

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 8/20 0.79
HSD17B10 Q99714 2/20 0.41
PDE2A O00408 1/20 0.38
MAOA P21397 3/20 0.37
MAOB P27338 3/20 0.37
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL13097573 0.91 CYP2D6 (0.82) CYP2D6HSD17B10PDE2AMAOAMAOB
SCHEMBL13097570 0.89 CYP2D6 (0.79) CYP2D6HSD17B10MAOAMAOBPDE3B
SCHEMBL13097576 0.89 CYP2D6 (0.79) CYP2D6MAOAMAOBPDE3BPDE3A
SCHEMBL13097574 0.89 CYP2D6 (0.79) CYP2D6HSD17B10MAOAMAOBPDE3B
SCHEMBL3101982 0.89 CYP2D6 (1.00) CYP2D6HSD17B10PDE3BPDE3ANOS3
SCHEMBL13097967 0.86 CYP2D6 (0.75) CYP2D6HSD17B10PDE3BPDE3AKDM4E
SCHEMBL13097581 0.84 CYP2D6 (0.72) CYP2D6HSD17B10PDE3BPDE3AKDM4E
SCHEMBL13097596 0.84 CYP2D6 (0.85) CYP2D6NOS3NOS1NOS2
SCHEMBL13097583 0.83 CYP2D6 (1.00) CYP2D6
SCHEMBL13097559 0.82 CYP2D6 (0.87) CYP2D6HSD17B10NOS3NOS1NOS2

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 230/4885HSD17B10 164/4885PDE2A 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.