SCHEMBL959429

SCHEMBL959429

O=C(O)c1cc(-c2cccc(Oc3ccc(Cl)cc3Cl)n2)ccc1F

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 5/20 0.49
SCN9A Q15858 2/20 0.46
FFAR4 Q5NUL3 2/20 0.45
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PTGER1 P34995 1/20 0.42
EIF4E P06730 2/20 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
SCHEMBL959117 0.86 MAPT (0.49) MRGPRX4SCN9AFFAR4ALDH1A1POLB
SCHEMBL962006 0.84 GPR52 (0.48) MRGPRX4SCN9AFFAR4
SCHEMBL959319 0.84 MRGPRX4 (0.61) MRGPRX4L3MBTL1PTGER1
SCHEMBL958823 0.83 MRGPRX4 (0.49) MRGPRX4SCN9AFFAR4ALDH1A1POLB
SCHEMBL962201 0.82 MRGPRX4 (0.53) MRGPRX4ALDH1A1POLBGAAHPGD
SCHEMBL960377 0.81 P2RX7 (0.40) MRGPRX4SCN9AFFAR4ALDH1A1HPGD
SCHEMBL959343 0.80 MRGPRX4 (0.53) MRGPRX4ALDH1A1POLBGAAHPGD
SCHEMBL957915 0.80 MRGPRX4 (0.50) MRGPRX4SCN9AALDH1A1POLBGAA
SCHEMBL958072 0.76 L3MBTL1 (0.51) MRGPRX4ALDH1A1GAAL3MBTL1
SCHEMBL961250 0.75 GPR52 (0.56) MRGPRX4SCN9AFFAR4POLBHPGD

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 1152/4885FFAR4 233/4885

“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.