SCHEMBL959490

SCHEMBL959490

O=C(O)c1cccc(-c2cc(C(F)(F)F)cc(Oc3ccc(Cl)cc3Cl)n2)c1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 7/20 0.53
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
TTR P02766 2/20 0.46
EIF4EBP1 Q13541 6/20 0.43
PTGDR Q13258 1/20 0.43
HPGD P15428 2/20 0.41
HTT P42858 2/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL958805 0.86 MAPT (0.47) MRGPRX4LMNAMAPTHPGDHTT
SCHEMBL960008 0.85 MRGPRX4 (0.53) MRGPRX4
SCHEMBL959319 0.83 MRGPRX4 (0.61) MRGPRX4MAPTTTRPTGDRL3MBTL1
SCHEMBL961461 0.82 GPR52 (0.42) MRGPRX4LMNAMAPTEIF4EBP1HPGD
SCHEMBL961456 0.80 MRGPRX4 (0.52) MRGPRX4LMNAMAPTTTREIF4EBP1
SCHEMBL958823 0.74 MRGPRX4 (0.49) MRGPRX4LMNAMAPTTTRHPGD
SCHEMBL959757 0.74 HPGD (0.53) LMNAMAPTTTRHPGDHTT
SCHEMBL959343 0.73 MRGPRX4 (0.53) MRGPRX4MAPTTTRHPGDALDH1A1
SCHEMBL957915 0.73 MRGPRX4 (0.50) MRGPRX4MAPTTTRHPGDALDH1A1
SCHEMBL958072 0.72 L3MBTL1 (0.51) MRGPRX4MAPTTTRPTGDRALDH1A1

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 133/4885LMNA 4498/4885MAPT 4154/4885

“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.