SCHEMBL408727

SCHEMBL408727

O=C(O)c1cn(-c2cc(F)cc(F)c2)nc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 14/20 0.39
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL408724 0.86 DGAT1 (0.46) DGAT1KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL408898 0.85 DGAT1 (0.48) DGAT1KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL408273 0.81 DGAT1 (0.54) DGAT1KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL408173 0.80 NPC1 (0.45) DGAT1KDM4E
SCHEMBL4293751 0.79 ALDH1A1 (0.54) DGAT1KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL29332031 0.78 ALKBH1 (0.41) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL407419 0.78 DGAT1 (0.54) DGAT1KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL14319143 0.78 DGAT1 (0.45) DGAT1KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL407232 0.77 DGAT1 (0.40) DGAT1SMN1; SMN2
SCHEMBL4486286 0.76 SMN1; SMN2 (0.52) DGAT1KDM4EALDH1A1SMN1; SMN2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 US disclosed
US-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 US disclosed
US-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 US disclosed
WO-2008011130-A2 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-24 WO disclosed
WO-2008011130-A2 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-24 WO 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-20120065196-A1 AMIDE COMPOUNDS DGAT2, DGAT1, DLAT DGAT1 2/4885KDM4E 2452/4885ALDH1A1 272/4885

“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.