SCHEMBL6080970

SCHEMBL6080970

COC(=O)c1cc(-c2ccc(Cl)cc2)c2cccc(OC)c2n1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TNKS O95271 6/20 0.54
TNKS2 Q9H2K2 6/20 0.54
PARP2 Q9UGN5 3/20 0.54
ACACA Q13085 2/20 0.47
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45
GRM2 Q14416 3/20 0.45
PDE10A Q9Y233 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2C8 P10632 1/20 0.41
CYP2C9 P11712 1/20 0.41
DHODH Q02127 1/20 0.41
PARP1 P09874 3/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL6593342 0.89 TNKS (0.52) TNKSTNKS2PARP2ACACAGRM2
SCHEMBL6079947 0.89 ACACA (0.55) TNKSTNKS2PARP2ACACAGRM2
SCHEMBL6079925 0.83 SLC6A4 (0.44) TNKSTNKS2PARP2SLC6A4SLC6A3
SCHEMBL6080006 0.82 NQO2 (0.47) TNKSTNKS2PARP2PDE10AMRGPRX4
SCHEMBL6081341 0.81 PDE10A (0.47) TNKSTNKS2PARP2PDE10AMRGPRX4
SCHEMBL1811362 0.81 ALOX15 (0.50) TNKSTNKS2PARP2PDE10APARP1
SCHEMBL1811192 0.79 PDE10A (0.61) TNKSTNKS2PARP2ACACAGRM2
SCHEMBL561666 0.78 PDE10A (0.47) TNKSTNKS2PARP2PDE10APARP1
SCHEMBL6080246 0.78 SLC6A4 (0.41) SLC6A4SLC6A3MRGPRX4KDM4E
SCHEMBL28879004 0.77 ACACA (0.55) TNKSTNKS2PARP2ACACAGRM2

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 TNKS 1332/4885TNKS2 1619/4885PARP2 1651/4885

“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.