SCHEMBL8074487

SCHEMBL8074487

CCc1cc2c(OC)cc(C=O)cc2nc1OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.39
TSHR P16473 1/20 0.39
FDPS P14324 1/20 0.38
TRIM24 O15164 1/20 0.36
HPGD P15428 1/20 0.36
ALDH5A1 P51649 1/20 0.36
ABAT P80404 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TRIM33 Q9UPN9 1/20 0.36
TTR P02766 1/20 0.35
MAPK1 P28482 1/20 0.34
GAA P10253 2/20 0.34
GRM1 Q13255 1/20 0.34
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
KDM4E B2RXH2 1/20 0.33
AOX1 Q06278 1/20 0.33

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
SCHEMBL8084564 0.79 NQO2 (0.41) ALDH1A1GAAGRM1MAPTHTT
SCHEMBL8071245 0.77 CRHR1 (0.35) ALDH1A1TTRGRM1HTTKDM4E
SCHEMBL8078338 0.77 PDE4A (0.37) TSHRGRM1MAPTPDE3BPDE3A
SCHEMBL31571103 0.77 ALDH1A1 (0.41) ALDH1A1TSHRFDPSTRIM24HPGD
SCHEMBL8077531 0.77 ALDH1A1 (0.41) ALDH1A1TSHRFDPSTRIM24HPGD
SCHEMBL8161360 0.76 LMNA (0.45) ALDH1A1HPGDMAPK1GAAGRM1
SCHEMBL6556526 0.69 ALDH1A1 (0.53) ALDH1A1TSHRFDPSTRIM24HPGD
SCHEMBL12830746 0.68 ALDH1A1 (0.48) ALDH1A1TSHRFDPSTRIM24HPGD
SCHEMBL8942444 0.67 ALOX5 (0.56) ALDH1A1TSHRFDPSTRIM24HPGD
SCHEMBL8082875 0.67 GRM1 (0.39) ALDH1A1TSHRMAPK1GAAGRM1

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-8404713-B2 Quinolinone derivatives as PARP inhibitors JANSSEN PHARMACEUTICA NV (BE) 2013-03-26 US disclosed
US-8404713-B2 Quinolinone derivatives as PARP inhibitors JANSSEN PHARMACEUTICA NV (BE) 2013-03-26 US disclosed
US-20100222348-A1 QUINOLINONE DERIVATIVES AS PARP INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-09-02 US disclosed
US-20100222348-A1 QUINOLINONE DERIVATIVES AS PARP INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-09-02 US disclosed
WO-2009053373-A1 QUINOLINONE DERIVATIVES AS PARP INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2009-04-30 WO 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-20100222348-A1 QUINOLINONE DERIVATIVES AS PARP INHIBITORS PARP1, PARP2, PARP11 ALDH1A1 939/4885TSHR 3767/4885FDPS 3517/4885

“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.