SCHEMBL958823

SCHEMBL958823

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

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 6/20 0.49
SCN9A Q15858 2/20 0.45
TTR P02766 2/20 0.44
PTGER1 P34995 1/20 0.41
FFAR4 Q5NUL3 1/20 0.40
MAPT P10636 2/20 0.39
PLA2G1B P04054 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
LMNA P02545 1/20 0.39
GPR52 Q9Y2T5 1/20 0.38
CTRC Q99895 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CHRM1 P11229 1/20 0.38

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
SCHEMBL959319 0.88 MRGPRX4 (0.61) MRGPRX4TTRPTGER1MAPTPLA2G1B
SCHEMBL959981 0.86 MAPT (0.48) MRGPRX4SCN9AMAPTLMNAGPR52
SCHEMBL961250 0.84 GPR52 (0.56) MRGPRX4SCN9AFFAR4GPR52POLB
SCHEMBL959429 0.83 MRGPRX4 (0.49) MRGPRX4SCN9APTGER1FFAR4ALDH1A1
SCHEMBL957915 0.83 MRGPRX4 (0.50) MRGPRX4SCN9ATTRPTGER1MAPT
SCHEMBL959343 0.81 MRGPRX4 (0.53) MRGPRX4TTRPTGER1MAPTPLA2G1B
SCHEMBL959528 0.81 GPR52 (0.45) MRGPRX4SCN9AGPR52ALDH1A1
SCHEMBL958072 0.78 L3MBTL1 (0.51) MRGPRX4TTRMAPTALDH1A1GAA
SCHEMBL962201 0.77 MRGPRX4 (0.53) MRGPRX4TTRPTGER1ALDH1A1POLB
SCHEMBL958590 0.76 MRGPRX4 (0.52) MRGPRX4TTRPTGER1MAPTPLA2G1B

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 2 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
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 MRGPRX4 133/4885SCN9A 1152/4885TTR 4594/4885

“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.