SCHEMBL5752564

SCHEMBL5752564

O=C1NC(Cc2ccccc2C(F)(F)F)C(c2ccc(F)cc2)O1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.40
TACR1 P25103 7/20 0.39
GRM5 P41594 5/20 0.38
AR P10275 1/20 0.36
CHRM5 P08912 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ADORA2A P29274 1/20 0.34
IDO1 P14902 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
SCHEMBL5753986 0.80 DAO (0.44) DAOGRM5AR
SCHEMBL5752398 0.79 MDM2 (0.41) DAOTACR1GRM5
SCHEMBL5752541 0.79 MDM2 (0.41) DAOTACR1GRM5
SCHEMBL5751029 0.78 MDM2 (0.47) DAOGRM5TDP1
SCHEMBL5751232 0.77 GRM5 (0.35) GRM5
SCHEMBL5751179 0.76 DAO (0.43) DAOTACR1GRM5
SCHEMBL5750184 0.74 MDM2 (0.40) GRM5
SCHEMBL5754544 0.74 GRM5 (0.38) GRM5
SCHEMBL5753095 0.73 MDM2 (0.43) DAOGRM5ARADORA2A
SCHEMBL5754087 0.72 MDM2 (0.40) DAOGRM5

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 865/4885TACR1 2291/4885GRM5 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.