SCHEMBL13097579

SCHEMBL13097579

Cc1c(COc2cccc(OCCN3CCOCC3)c2)[nH]c2ccccc2c1=O

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 8/20 0.67
PDGFRB P09619 2/20 0.49
FGFR1 P11362 1/20 0.49
KDR P35968 1/20 0.49
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47
PDGFRA P16234 1/20 0.47
NR1H4 Q96RI1 1/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HTT P42858 1/20 0.47
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
MAOB P27338 1/20 0.46

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
SCHEMBL13097614 0.89 CYP2D6 (0.54) CYP2D6ADORA2AADORA1KDM4EALDH1A1
SCHEMBL13097626 0.85 CYP2D6 (0.68) CYP2D6KDM4EALDH1A1HTT
SCHEMBL20983222 0.83 PDGFRB (0.48) CYP2D6PDGFRBFGFR1KDRADORA2A
SCHEMBL13097580 0.83 CYP2D6 (0.65) CYP2D6KDM4EALDH1A1HTTTP53
SCHEMBL13097586 0.83 CYP2D6 (0.82) CYP2D6KDM4EHTT
SCHEMBL13097603 0.82 CYP2D6 (0.81) CYP2D6KDM4EHTT
SCHEMBL13097587 0.82 CYP2D6 (0.66) CYP2D6KDM4EALDH1A1
SCHEMBL13097975 0.81 CYP2D6 (0.80) CYP2D6KDM4EALDH1A1HTT
SCHEMBL13097969 0.81 CYP2D6 (0.64) CYP2D6KDM4EALDH1A1TSHR
SCHEMBL13097842 0.81 CYP2D6 (0.62) CYP2D6KDM4EALDH1A1HTTTSHR

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 230/4885PDGFRB 3349/4885FGFR1 2779/4885

“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.