SCHEMBL441376

SCHEMBL441376

O=C(NCCNC(=O)C1CCN(S(=O)(=O)c2ccccc2OC(F)(F)F)CC1)c1cn(-c2ccccc2)nc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 11/20 0.49
CHRM4 P08173 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HPGD P15428 1/20 0.43
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CHRM1 P11229 1/20 0.41
GAA P10253 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL441098 0.89 L3MBTL1 (0.55) DGAT1L3MBTL1HPGDALDH1A1SMN1; SMN2
SCHEMBL441311 0.87 HPGD (0.55) DGAT1HPGDALDH1A1GAA
SCHEMBL441604 0.84 DGAT1 (0.54) DGAT1HPGD
SCHEMBL437986 0.84 DGAT1 (0.55) DGAT1HPGD
SCHEMBL440582 0.84 DGAT1 (0.54) DGAT1CYP2D6
SCHEMBL440637 0.83 DGAT1 (0.53) DGAT1HPGDALDH1A1SMN1; SMN2GAA
SCHEMBL439353 0.82 DGAT1 (0.48) DGAT1HPGD
SCHEMBL439993 0.82 ALDH1A1 (0.60) DGAT1HPGDALDH1A1GAA
SCHEMBL14305144 0.81 DGAT1 (0.53) DGAT1CYP2D6
SCHEMBL463713 0.81 DGAT1 (0.60) DGAT1

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 2 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

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 2/4885CHRM4 4492/4885L3MBTL1 1197/4885

“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.