SCHEMBL5749862

SCHEMBL5749862

O=C1NC(Cc2ccc(C(F)(F)F)cc2)C(c2cccc3ccccc23)O1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.43
TNKS O95271 4/20 0.38
TNKS2 Q9H2K2 3/20 0.38
WNT3A P56704 1/20 0.38
DAO P14920 2/20 0.36
GSK3B P49841 3/20 0.36
TRPV1 Q8NER1 2/20 0.36
ADK P55263 2/20 0.36
DRD4 P21917 1/20 0.36
CES2 O00748 1/20 0.35
PARP1 P09874 2/20 0.35
VKORC1 Q9BQB6 1/20 0.35
PARP2 Q9UGN5 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
SCHEMBL5752410 0.84 MAOB (0.38) MAOBTNKS2DAOCES2
SCHEMBL5750594 0.80 MAOB (0.43) MAOBTNKSTNKS2WNT3ADAO
SCHEMBL5752353 0.79 GRM5 (0.40) MAOBDAOTRPV1CES2PARP1
SCHEMBL5752326 0.76 MAOB (0.38) MAOBTNKSTNKS2WNT3ADAO
SCHEMBL5750557 0.76 MAOB (0.39) MAOBDAOTRPV1CES2
SCHEMBL5752541 0.76 MDM2 (0.41) MAOBDAOCES2
SCHEMBL5752398 0.76 MDM2 (0.41) MAOBDAOCES2
SCHEMBL5749586 0.75 GRM5 (0.44)
SCHEMBL5750910 0.75 MDM2 (0.43) MAOBDAOCES2
SCHEMBL13395434 0.74 C1R (0.36) MAOBDAOCES2

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 3565/4885TNKS 4544/4885TNKS2 4639/4885

“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.