SCHEMBL408677

SCHEMBL408677

O=C(O)c1cn(-c2ccc(Cl)c(Br)c2)nc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 5/20 0.42
DGAT1 O75907 9/20 0.41
ALDH1A1 P00352 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CTSB P07858 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL407229 0.83 DGAT1 (0.45) NOTUMDGAT1ALDH1A1
SCHEMBL407419 0.81 DGAT1 (0.54) DGAT1ALDH1A1L3MBTL1
SCHEMBL4486286 0.80 SMN1; SMN2 (0.52) DGAT1ALDH1A1
SCHEMBL408898 0.77 DGAT1 (0.48) DGAT1ALDH1A1L3MBTL1
SCHEMBL408273 0.77 DGAT1 (0.54) DGAT1ALDH1A1L3MBTL1TDP1
SCHEMBL14319143 0.76 DGAT1 (0.45) DGAT1ALDH1A1L3MBTL1
SCHEMBL408724 0.75 DGAT1 (0.46) NOTUMDGAT1ALDH1A1L3MBTL1
SCHEMBL408204 0.75 DGAT1 (0.41) NOTUMDGAT1
SCHEMBL4293751 0.74 ALDH1A1 (0.54) DGAT1ALDH1A1L3MBTL1
SCHEMBL408727 0.74 DGAT1 (0.39) DGAT1ALDH1A1L3MBTL1

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-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

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 NOTUM 255/4885DGAT1 2/4885ALDH1A1 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.