SCHEMBL5752410

SCHEMBL5752410

O=C1NC(Cc2ccc(C(F)(F)F)cc2)C(c2ccccc2F)O1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.38
CES2 O00748 1/20 0.37
GRM5 P41594 1/20 0.37
PPARG P37231 1/20 0.37
TOP2A P11388 1/20 0.36
DAO P14920 6/20 0.36
CHRM5 P08912 1/20 0.35
FFAR1 O14842 2/20 0.33
ADORA2A P29274 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33

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
SCHEMBL5752353 0.87 GRM5 (0.40) MAOBCES2GRM5PPARGDAO
SCHEMBL5749862 0.84 MAOB (0.43) MAOBCES2DAOTNKS2
SCHEMBL5750594 0.83 MAOB (0.43) MAOBCES2GRM5PPARGDAO
SCHEMBL5752541 0.81 MDM2 (0.41) MAOBCES2GRM5PPARGDAO
SCHEMBL5752398 0.81 MDM2 (0.41) MAOBCES2GRM5PPARGDAO
SCHEMBL5753935 0.81 GRM5 (0.40) MAOBCES2GRM5PPARGDAO
SCHEMBL5752910 0.79 PPARG (0.36) MAOBCES2PPARGDAOFFAR1
SCHEMBL5750557 0.79 MAOB (0.39) MAOBCES2GRM5PPARGDAO
SCHEMBL5749586 0.78 GRM5 (0.44) GRM5
SCHEMBL5750910 0.78 MDM2 (0.43) MAOBCES2GRM5PPARGTOP2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6982348-B2 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-03 US disclosed
US-20040127574-A1 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-07-01 US disclosed
EP-1362846-A1 AMINOETHANOL DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2003-11-19 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-20040127574-A1 Aminoethanol derivatives CETP, LCAT, MTTP MAOB 3565/4885CES2 314/4885GRM5 2869/4885

“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.