SCHEMBL957908

SCHEMBL957908

C[S+]([O-])CCNC(=O)c1cccc(-c2cccc(Oc3cc(Cl)cc(Cl)c3)n2)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 2/20 0.49
GRM5 P41594 3/20 0.39
BCL2L1 Q07817 2/20 0.39
MCL1 Q07820 2/20 0.39
NR1H2 P55055 2/20 0.39
NR1H3 Q13133 2/20 0.39
CNR1 P21554 1/20 0.38
MAP4K4 O95819 2/20 0.38
FYN P06241 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
CNR2 P34972 1/20 0.36

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
SCHEMBL958467 0.86 GPR52 (0.63) GPR52GRM5BCL2L1MCL1MAP4K4
SCHEMBL957800 0.84 GPR52 (0.50) GPR52GRM5BCL2L1MCL1NR1H2
SCHEMBL958528 0.84 GPR52 (0.56) GPR52GRM5BCL2L1MCL1MAP4K4
SCHEMBL964557 0.82 GPR52 (0.50) GPR52GRM5BCL2L1MCL1NR1H2
SCHEMBL3429697 0.82 GPR52 (0.48) GPR52GRM5BCL2L1MCL1NR1H2
SCHEMBL961526 0.80 MAP4K4 (0.56) GPR52MAP4K4MAPT
SCHEMBL964554 0.78 LOX (0.49) GPR52GRM5BCL2L1MCL1CNR2
SCHEMBL958267 0.78 L3MBTL1 (0.60) GPR52GRM5NR1H2NR1H3CNR1
SCHEMBL961657 0.77 MAP4K4 (0.53) GPR52GRM5BCL2L1MCL1CNR1
SCHEMBL959832 0.77 GPR52 (0.46) GPR52GRM5BCL2L1MCL1CNR1

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 6 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

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 23/4885GRM5 72/4885BCL2L1 1729/4885

“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.