SCHEMBL3092104

SCHEMBL3092104

Cc1c(COc2cc(OCCC3CCOCC3)ccn2)[nH]c2ccccc2c1=O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 9/20 0.68
MMP12 P39900 2/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP7 P09237 1/20 0.36
MMP10 P09238 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
MMP13 P45452 1/20 0.36
MMP14 P50281 1/20 0.36
MMP16 P51512 1/20 0.36
PDE2A O00408 1/20 0.35
PADI4 Q9UM07 1/20 0.35
PDGFRB P09619 1/20 0.34
FGFR1 P11362 1/20 0.34
KDR P35968 1/20 0.34
CTSV O60911 1/20 0.33
CTSL P07711 1/20 0.33
GABRA5 P31644 1/20 0.33
SYK P43405 1/20 0.32

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
SCHEMBL13097655 0.96 CYP2D6 (0.67) CYP2D6MMP12MMP2MMP3MMP7
SCHEMBL13097706 0.91 CYP2D6 (0.67) CYP2D6CTSVCTSLGABRA5LMNA
SCHEMBL13097612 0.91 CYP2D6 (0.78) CYP2D6CTSVCTSLGABRA5
SCHEMBL13097560 0.89 CYP2D6 (0.78) CYP2D6CTSVCTSLKDM4ELMNA
SCHEMBL13097651 0.89 CYP2D6 (0.53) CYP2D6KDM4EHSD17B10ALDH1A1
SCHEMBL13097586 0.88 CYP2D6 (0.82) CYP2D6MMP12MMP2MMP3MMP7
SCHEMBL13097671 0.87 CYP2D6 (0.66) CYP2D6CTSVCTSLGABRA5MCL1
SCHEMBL13349931 0.86 CYP2D6 (0.69) CYP2D6MMP12MMP2MMP3MMP7
SCHEMBL13097603 0.84 CYP2D6 (0.81) CYP2D6CTSVCTSLMCL1KDM4E
SCHEMBL13097683 0.83 CYP2D6 (0.66) CYP2D6PDGFRBFGFR1KDRCTSV

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367702-B2 Quinolone derivative ASTELLAS PHARMA INC. (JP) 2013-02-05 US claimed
US-20100256113-A1 QUINOLONE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-10-07 US claimed
EP-2194044-A1 QUINOLONE DERIVATIVE Astellas Pharma Inc. (JP) 2010-06-09 EP claimed
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-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
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
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 230/4885MMP12 2746/4885MMP2 1221/4885

“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.