SCHEMBL8082875

SCHEMBL8082875

C=Cc1ccc2cc(CC)c(OC)nc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 1/20 0.39
TRPA1 O75762 1/20 0.37
ALDH1A1 P00352 4/20 0.35
GFER P55789 1/20 0.35
KDM4E B2RXH2 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
HTR2C P28335 1/20 0.33
TYMS P04818 1/20 0.32
GAA P10253 1/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
PSMB5 P28074 1/20 0.31
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL31571035 1.00 GRM1 (0.39) GRM1TRPA1ALDH1A1GFERKDM4E
SCHEMBL31571103 0.87 ALDH1A1 (0.41) GRM1ALDH1A1GFERKDM4EGAA
SCHEMBL8077531 0.87 ALDH1A1 (0.41) GRM1ALDH1A1GFERKDM4EGAA
SCHEMBL8077771 0.79 KDM4E (0.50) GRM1ALDH1A1KDM4EGAATSHR
SCHEMBL31422962 0.78 KDM4E (0.45) ALDH1A1KDM4EGAAPPARDPPARA
SCHEMBL13166990 0.77 GRM1 (0.41) GRM1ALDH1A1GFERKDM4EL3MBTL1
SCHEMBL31571076 0.75 GRM1 (0.41) GRM1ALDH1A1GFERKDM4EL3MBTL1
SCHEMBL8060208 0.75 GRM1 (0.41) GRM1ALDH1A1GFERKDM4EL3MBTL1
SCHEMBL8078111 0.75 ALDH1A1 (0.44) GRM1ALDH1A1GFERKDM4EL3MBTL1
SCHEMBL8151067 0.75 ALDH1A1 (0.46) GRM1ALDH1A1GFERKDM4EL3MBTL1

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 GRM1 3148/4885TRPA1 4252/4885ALDH1A1 939/4885

“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.