SCHEMBL8069342

SCHEMBL8069342

CCOC(=O)c1ccc2cc(CC)c(OC)nc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 1/20 0.50
HSD17B2 P37059 1/20 0.49
NPC1 O15118 4/20 0.47
MAPT P10636 2/20 0.47
NLRP3 Q96P20 1/20 0.47
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 2/20 0.47
CA14 Q9ULX7 2/20 0.47
ALDH1A1 P00352 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
RAB9A P51151 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAOB P27338 1/20 0.45
PDGFRB P09619 1/20 0.44
PDGFRA P16234 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
ESR1 P03372 1/20 0.43

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
SCHEMBL8155372 0.85 GRM1 (0.50) GRM1NPC1MAPTALDH1A1L3MBTL1
SCHEMBL31571081 0.85 GRM1 (0.50) GRM1NPC1MAPTALDH1A1L3MBTL1
SCHEMBL8162179 0.83 GRM1 (0.52) GRM1NPC1MAPTALDH1A1L3MBTL1
SCHEMBL8155065 0.81 GRM1 (0.47) GRM1NPC1ALDH1A1L3MBTL1RAB9A
SCHEMBL27122916 0.80 MAOB (0.49) GRM1HSD17B2NPC1MAPTNLRP3
SCHEMBL8161676 0.80 GRM1 (0.46) GRM1NPC1ALDH1A1L3MBTL1RAB9A
SCHEMBL8163845 0.79 GRM1 (0.46) GRM1NPC1ALDH1A1L3MBTL1RAB9A
SCHEMBL8148193 0.79 GRM1 (0.73) GRM1
SCHEMBL31423318 0.79 ALDH1A1 (0.47) HSD17B2NPC1MAPTNLRP3CA12
SCHEMBL2671191 0.79 HSD17B2 (0.52) HSD17B2NPC1MAPTNLRP3CA12

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 3148/4885HSD17B2 2133/4885NPC1 2753/4885

“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.