SCHEMBL13097683

SCHEMBL13097683

Cc1c(COc2cc(OCCC3(O)CCOCC3)ccn2)[nH]c2ccccc2c1=O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 9/20 0.66
KDM4E B2RXH2 4/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NPSR1 Q6W5P4 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
IDE P14735 1/20 0.33
CTSV O60911 1/20 0.32
CTSL P07711 1/20 0.32
GABRA5 P31644 1/20 0.32
PDGFRB P09619 1/20 0.32
FGFR1 P11362 1/20 0.32
KDR P35968 1/20 0.32
PDE3B Q13370 1/20 0.31

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
SCHEMBL13097670 0.89 CYP2D6 (0.65) CYP2D6KDM4ELMNAMAPTHPGD
SCHEMBL3092104 0.83 CYP2D6 (0.68) CYP2D6KDM4ELMNAMAPTHPGD
SCHEMBL13097970 0.82 CYP2D6 (0.70) CYP2D6KDM4ELMNAMAPTNPSR1
SCHEMBL13097706 0.81 CYP2D6 (0.67) CYP2D6LMNAHPGDHTTMEN1
SCHEMBL13097612 0.81 CYP2D6 (0.78) CYP2D6CTSVCTSLGABRA5MAOA
SCHEMBL13097972 0.80 CYP2D6 (0.68) CYP2D6KDM4ELMNAMAPTNPSR1
SCHEMBL13097686 0.80 CYP2D6 (0.68) CYP2D6KDM4ELMNAMAPTNPSR1
SCHEMBL13097671 0.80 CYP2D6 (0.66) CYP2D6HTTCTSVCTSLGABRA5
SCHEMBL13097682 0.80 CYP2D6 (0.74) CYP2D6LMNAMAPTHPGDALDH1A1
SCHEMBL13097695 0.80 CYP2D6 (0.63) CYP2D6CTSVCTSLGABRA5

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 230/4885KDM4E 1769/4885LMNA 2595/4885

“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.