SCHEMBL5753986

SCHEMBL5753986

O=C1NC(Cc2ccc(C(F)(F)F)c(F)c2)C(c2ccc(F)cc2)O1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.44
GRM5 P41594 8/20 0.36
MDM2 Q00987 2/20 0.36
AR P10275 1/20 0.35
KDM1A O60341 1/20 0.34
KIF11 P52732 1/20 0.34
PDE3B Q13370 2/20 0.32
PDE3A Q14432 2/20 0.32

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
SCHEMBL5751029 0.84 MDM2 (0.47) DAOGRM5MDM2
SCHEMBL5752541 0.83 MDM2 (0.41) DAOGRM5MDM2
SCHEMBL5752398 0.83 MDM2 (0.41) DAOGRM5MDM2
SCHEMBL5751179 0.82 DAO (0.43) DAOGRM5
SCHEMBL5752564 0.80 DAO (0.40) DAOGRM5AR
SCHEMBL5750184 0.79 MDM2 (0.40) GRM5MDM2
SCHEMBL5753852 0.78 GRM5 (0.36) DAOGRM5MDM2
SCHEMBL5751128 0.78 HCRTR1 (0.39) DAOGRM5AR
SCHEMBL5753095 0.78 MDM2 (0.43) DAOGRM5MDM2AR
SCHEMBL5749871 0.77 GRM5 (0.35) DAOGRM5MDM2

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 865/4885GRM5 2869/4885MDM2 3868/4885

“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.