SCHEMBL961250

SCHEMBL961250

O=C(NCCO)c1cc(F)cc(-c2cccc(Oc3ccc(Cl)cc3Cl)n2)c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 2/20 0.56
MAP4K4 O95819 5/20 0.50
SCN9A Q15858 2/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
ALPL P05186 1/20 0.39
ALPG P10696 1/20 0.39
FYN P06241 1/20 0.39
RIPK1 Q13546 1/20 0.37
WDR5 P61964 1/20 0.37
HPGD P15428 2/20 0.37
POLB P06746 1/20 0.37
HTT P42858 1/20 0.37
PPARD Q03181 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
FFAR4 Q5NUL3 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
SCHEMBL959528 0.89 GPR52 (0.45) GPR52MAP4K4SCN9AMRGPRX4RIPK1
SCHEMBL962006 0.88 GPR52 (0.48) GPR52SCN9AMRGPRX4ALPLALPG
SCHEMBL958289 0.86 KDR (0.50) GPR52MAP4K4MRGPRX4ALPLALPG
SCHEMBL958823 0.84 MRGPRX4 (0.49) GPR52SCN9AMRGPRX4HPGDPOLB
SCHEMBL961939 0.84 GPR52 (0.48) GPR52MRGPRX4ALPLALPGFYN
SCHEMBL959981 0.81 MAPT (0.48) GPR52SCN9AMRGPRX4POLBHTT
SCHEMBL956572 0.80 GPR52 (0.48) GPR52MAP4K4MRGPRX4HPGDHTT
SCHEMBL957949 0.80 GPR52 (0.44) GPR52MRGPRX4ALPLALPGHPGD
SCHEMBL958269 0.80 GPR52 (0.43) GPR52MRGPRX4ALPLALPGHPGD
SCHEMBL960008 0.78 MRGPRX4 (0.53) GPR52MRGPRX4FYN

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 23/4885MAP4K4 2519/4885SCN9A 1152/4885

“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.