SCHEMBL5752398

SCHEMBL5752398

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

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 4/20 0.41
GRM5 P41594 4/20 0.38
TACR1 P25103 2/20 0.37
DAO P14920 3/20 0.36
MAOB P27338 1/20 0.36
CES2 O00748 1/20 0.36
PPARG P37231 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL5752541 1.00 MDM2 (0.41) MDM2GRM5TACR1DAOMAOB
SCHEMBL5751029 0.91 MDM2 (0.47) MDM2GRM5DAOGAA
SCHEMBL5750184 0.90 MDM2 (0.40) MDM2GRM5CES2GAA
SCHEMBL5750594 0.90 MAOB (0.43) GRM5DAOMAOBCES2PPARG
SCHEMBL5750910 0.89 MDM2 (0.43) MDM2GRM5DAOMAOBCES2
SCHEMBL5754087 0.89 MDM2 (0.40) MDM2GRM5DAOGAA
SCHEMBL5750557 0.87 MAOB (0.39) GRM5DAOMAOBCES2PPARG
SCHEMBL5749586 0.86 GRM5 (0.44) GRM5
SCHEMBL5753935 0.86 GRM5 (0.40) MDM2GRM5DAOMAOBCES2
SCHEMBL5751179 0.86 DAO (0.43) GRM5TACR1DAO

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 MDM2 3868/4885GRM5 2869/4885TACR1 2291/4885

“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.