SCHEMBL5750255

SCHEMBL5750255

O=C1NC(Cc2ccc(C(F)(F)F)cc2)C(c2ccc(Cl)s2)O1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DAO P14920 6/20 0.36
PPARG P37231 1/20 0.35
MAOB P27338 2/20 0.34
ADORA2A P29274 1/20 0.33
CES2 O00748 1/20 0.33
MAOA P21397 1/20 0.32
TNKS O95271 1/20 0.32
TOP2A P11388 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM3 P20309 1/20 0.31
NR1D1 P20393 1/20 0.31
SIRT2 Q8IXJ6 1/20 0.31
SIRT1 Q96EB6 1/20 0.31
FFAR1 O14842 1/20 0.31

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
SCHEMBL5750910 0.80 MDM2 (0.43) DAOPPARGMAOBCES2TOP2A
SCHEMBL5754437 0.78 HCRTR1 (0.37) DAO
SCHEMBL5750594 0.78 MAOB (0.43) DAOPPARGMAOBCES2MAOA
SCHEMBL5752326 0.76 MAOB (0.38) DAOPPARGMAOBADORA2ACES2
SCHEMBL5749040 0.76 CYP3A4 (0.38) DAOMAOBADORA2ACES2TOP2A
SCHEMBL5752398 0.76 MDM2 (0.41) DAOPPARGMAOBCES2
SCHEMBL5750557 0.76 MAOB (0.39) DAOPPARGMAOBADORA2ACES2
SCHEMBL5752541 0.76 MDM2 (0.41) DAOPPARGMAOBCES2
SCHEMBL5752410 0.75 MAOB (0.38) DAOPPARGMAOBADORA2ACES2
SCHEMBL5752910 0.74 PPARG (0.36) DAOPPARGMAOBADORA2ACES2

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 DAO 865/4885PPARG 905/4885MAOB 3565/4885

“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.