SCHEMBL6079925

SCHEMBL6079925

COC(=O)c1ccc2c(-c3ccc(Cl)cc3)ccc(OC)c2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
PDE4B Q07343 6/20 0.43
PDE4D Q08499 4/20 0.43
PDE4A P27815 3/20 0.43
PDE4C Q08493 3/20 0.43
TNKS O95271 1/20 0.42
TNKS2 Q9H2K2 1/20 0.42
PARP2 Q9UGN5 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.41
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
NPC1 O15118 1/20 0.40
NFKB1 P19838 1/20 0.40
RAB9A P51151 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
PDE11A Q9HCR9 2/20 0.40
ALDH1A1 P00352 2/20 0.40

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
SCHEMBL6593501 0.89 KDM4E (0.48) PDE4BPDE4DPDE4APDE4CTNKS
SCHEMBL6080899 0.87 PTGER4 (0.44) PDE4BPDE4DPDE4APDE4CTNKS
SCHEMBL6080970 0.83 TNKS (0.54) SLC6A4SLC6A3TNKSTNKS2PARP2
SCHEMBL6080246 0.80 SLC6A4 (0.41) SLC6A4SLC6A3MRGPRX4MAPTSMN1; SMN2
SCHEMBL17142035 0.78 SLC6A3 (0.53) SLC6A4SLC6A3MAPTSMN1; SMN2L3MBTL1
SCHEMBL19579764 0.77 SLC6A3 (0.51) SLC6A4SLC6A3MAPTSMN1; SMN2L3MBTL1
SCHEMBL19835545 0.77 SLC6A3 (0.51) SLC6A4SLC6A3MAPTSMN1; SMN2L3MBTL1
SCHEMBL18552419 0.77 KDM4E (0.44) PDE4BPDE4DPDE4APDE4CMRGPRX4
SCHEMBL6591002 0.76 KDM4E (0.51) PDE4BTNKSTNKS2PARP2L3MBTL1
SCHEMBL4698107 0.76 PDE4D (0.43) PDE4BPDE4DPDE4APDE4CMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060183909-A1 Compositions derived from quinoline and quinoxaline, preparation and use thereof NEURO3D (FR) 2006-08-17 US claimed
US-20060183909-A1 Compositions derived from quinoline and quinoxaline, preparation and use thereof NEURO3D (FR) 2006-08-17 US 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-20060183909-A1 Compositions derived from quinoline and quinoxaline, preparation and use thereof NQO1, NQO2, RECQL SLC6A4 1611/4885SLC6A3 1620/4885PDE4B 183/4885

“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.