SCHEMBL5749040

SCHEMBL5749040

O=C1NC(Cc2ccc(C(F)(F)F)cc2)C(c2ccc(Cl)nc2)O1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.38
GRM4 Q14833 1/20 0.37
KCNQ3 O43525 1/20 0.37
KCNQ2 O43526 1/20 0.37
KCNE1 P15382 1/20 0.37
KCNQ1 P51787 1/20 0.37
DAO P14920 3/20 0.36
MAOB P27338 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CES2 O00748 1/20 0.35
FFAR2 O15552 1/20 0.35
KDM4E B2RXH2 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ADORA2A P29274 1/20 0.33
TOP2A P11388 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
SCHEMBL5750910 0.86 MDM2 (0.43) DAOMAOBCES2TOP2A
SCHEMBL5752398 0.82 MDM2 (0.41) DAOMAOBCES2
SCHEMBL5750557 0.82 MAOB (0.39) DAOMAOBCES2ADORA2A
SCHEMBL5752541 0.82 MDM2 (0.41) DAOMAOBCES2
SCHEMBL5750594 0.82 MAOB (0.43) DAOMAOBSMN1; SMN2CES2
SCHEMBL5752326 0.80 MAOB (0.38) DAOMAOBCES2ADORA2ATOP2A
SCHEMBL5753935 0.79 GRM5 (0.40) DAOMAOBCES2
SCHEMBL5749830 0.79 HCRTR1 (0.37) DAO
SCHEMBL5752275 0.78 KCNA5 (0.40) ALDH1A1
SCHEMBL5752910 0.78 PPARG (0.36) DAOMAOBCES2ADORA2A

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 CYP3A4 775/4885GRM4 3172/4885KCNQ3 4557/4885

“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.