SCHEMBL959928

SCHEMBL959928

COc1cccc(CCOc2cccc(-c3cccc(C(=O)Nc4ccccn4)c3)n2)c1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.52
GPR52 Q9Y2T5 2/20 0.51
F2 P00734 1/20 0.48
MAPK14 Q16539 1/20 0.48
ADORA3 P0DMS8 2/20 0.48
CNR2 P34972 1/20 0.48
ABCB1 P08183 2/20 0.47
GRM5 P41594 1/20 0.46
HIF1A Q16665 1/20 0.46
AURKA O14965 1/20 0.46
NR3C2 P08235 1/20 0.46
NR1H4 Q96RI1 1/20 0.44

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
SCHEMBL12919104 0.89 SIRT2 (0.48) SIRT2GPR52F2ADORA3CNR2
SCHEMBL958255 0.86 GPR52 (0.56) GPR52CNR2ABCB1AURKANR1H4
SCHEMBL960656 0.84 RAB9A (0.53) SIRT2GPR52AURKA
SCHEMBL963749 0.84 GPR52 (0.49) GPR52ABCB1GRM5AURKANR1H4
SCHEMBL961206 0.83 GPR52 (0.63) GPR52AURKA
SCHEMBL961439 0.83 GPR52 (0.52) GPR52HIF1AAURKANR1H4
SCHEMBL959859 0.83 GPR52 (0.73) GPR52AURKA
SCHEMBL12918938 0.82 GPR52 (0.61) GPR52AURKA
SCHEMBL3402485 0.82 GPR52 (0.61) GPR52AURKA
SCHEMBL958225 0.82 GPR52 (0.51) GPR52NR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009421-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-13 US disclosed
US-20110009421-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-13 US disclosed
US-20110009421-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-13 US disclosed
EP-2253618-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING Takeda Pharmaceutical Company Limited (JP) 2010-11-24 EP 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-20110009421-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING GPR4, NR3C2, NR5A2 SIRT2 927/4885GPR52 23/4885F2 4356/4885

“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.