SCHEMBL958467

SCHEMBL958467

O=C(NCCO)c1cccc(-c2cccc(Oc3cc(Cl)cc(Cl)c3)n2)c1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 2/20 0.63
MAP4K4 O95819 1/20 0.51
FYN P06241 8/20 0.48
ABL1 P00519 1/20 0.46
BCR P11274 1/20 0.46
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
GRM5 P41594 3/20 0.42
LIMK1 P53667 1/20 0.41
BCL2L1 Q07817 1/20 0.41
MCL1 Q07820 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
SCHEMBL958528 0.94 GPR52 (0.56) GPR52MAP4K4FYNABL1BCR
SCHEMBL957800 0.88 GPR52 (0.50) GPR52MAP4K4FYNHPGDGRM5
SCHEMBL964557 0.88 GPR52 (0.50) GPR52MAP4K4FYNGRM5BCL2L1
SCHEMBL957908 0.86 GPR52 (0.49) GPR52MAP4K4FYNGRM5BCL2L1
SCHEMBL964554 0.85 LOX (0.49) GPR52HPGDGRM5BCL2L1MCL1
SCHEMBL961526 0.85 MAP4K4 (0.56) GPR52MAP4K4POLB
SCHEMBL3429697 0.85 GPR52 (0.48) GPR52GRM5BCL2L1MCL1
SCHEMBL959832 0.84 GPR52 (0.46) GPR52MAP4K4GRM5BCL2L1MCL1
SCHEMBL961657 0.82 MAP4K4 (0.53) GPR52MAP4K4GRM5BCL2L1MCL1
SCHEMBL959942 0.81 RXRA (0.56) GPR52GRM5BCL2L1MCL1

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 7 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 claimed
EP-2253618-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING Takeda Pharmaceutical Company Limited (JP) 2010-11-24 EP claimed
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
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 23/4885MAP4K4 2519/4885FYN 1882/4885

“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.