SCHEMBL958255

SCHEMBL958255

CNC(=O)c1cccc(-c2cccc(OCCc3cccc(OC)c3)n2)c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 2/20 0.56
AURKA O14965 1/20 0.48
MMP13 P45452 1/20 0.46
PLK1 P53350 1/20 0.46
CNR2 P34972 1/20 0.46
ABCB1 P08183 1/20 0.45
ROCK2 O75116 1/20 0.45
MAP4K4 O95819 1/20 0.44
PIK3CA P42336 1/20 0.44
LTB4R Q15722 1/20 0.44
MAPT P10636 1/20 0.44
TP53 P04637 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
WDR5 P61964 1/20 0.42
NR1H4 Q96RI1 1/20 0.42

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
SCHEMBL961206 0.89 GPR52 (0.63) GPR52AURKAMMP13ROCK2TP53
SCHEMBL961439 0.89 GPR52 (0.52) GPR52AURKAMMP13LTB4RTP53
SCHEMBL959859 0.88 GPR52 (0.73) GPR52AURKAMMP13ROCK2MAP4K4
SCHEMBL12918938 0.88 GPR52 (0.61) GPR52AURKAMMP13ROCK2TP53
SCHEMBL3402485 0.88 GPR52 (0.61) GPR52AURKAMMP13ROCK2MAPT
SCHEMBL12919048 0.87 GPR52 (0.53) GPR52MAP4K4MAPTTP53HPGD
Hydrochloric Acid SCHEMBL958163 0.87 GPR52 (0.60) GPR52AURKAMMP13ROCK2TP53
SCHEMBL13070873 0.86 TAS1R3 (0.60) GPR52AURKAMMP13CNR2ROCK2
SCHEMBL959928 0.86 SIRT2 (0.52) GPR52AURKACNR2ABCB1NR1H4
SCHEMBL959095 0.85 GPR52 (0.59) GPR52AURKAMMP13ROCK2MAPT

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 23/4885AURKA 4359/4885MMP13 4181/4885

“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.