SCHEMBL964253

SCHEMBL964253

CCNC(=O)c1cccc(-c2cccc(OCCc3ccc(OC)c(OC)c3)n2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 2/20 0.56
MAPK1 P28482 2/20 0.47
TP53 P04637 2/20 0.47
POLB P06746 2/20 0.47
MAPT P10636 3/20 0.46
PTGDR Q13258 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HDAC1 Q13547 1/20 0.45
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
THRB P10828 1/20 0.44
PKM P14618 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
APEX1 P27695 1/20 0.44
CASP1 P29466 1/20 0.44
HTT P42858 1/20 0.44
RECQL P46063 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
SCHEMBL12919063 0.91 GPR52 (0.60) GPR52MAPK1TP53POLBMAPT
SCHEMBL12919049 0.91 GPR52 (0.57) GPR52MAPK1TP53POLBMAPT
SCHEMBL12919059 0.91 GPR52 (0.69) GPR52MAPK1TP53POLBMAPT
SCHEMBL12919070 0.91 GPR52 (0.54) GPR52MAPK1TP53POLBMAPT
SCHEMBL12919048 0.90 GPR52 (0.53) GPR52MAPK1TP53POLBMAPT
SCHEMBL12919064 0.90 GPR52 (0.56) GPR52MAPK1TP53POLBMAPT
SCHEMBL12919052 0.90 GPR52 (0.58) GPR52MAPK1TP53POLBMAPT
SCHEMBL958578 0.90 GPR52 (0.54) GPR52MAPK1TP53POLBMAPT
SCHEMBL12919068 0.89 GPR52 (0.56) GPR52MAPK1TP53POLBMAPT
SCHEMBL12919083 0.89 GPR52 (0.56) GPR52MAPK1TP53POLBMAPT

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 GPR52 23/4885MAPK1 2190/4885TP53 4432/4885

“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.