SCHEMBL439459

SCHEMBL439459

O=C(NCCNC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)c1cn(-c2ccccc2)nc1C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 14/20 0.55
PKM P14618 3/20 0.46
KMT2A Q03164 1/20 0.46
DRD2 P14416 1/20 0.45
DRD3 P35462 1/20 0.45
CYP1A2 P05177 1/20 0.44
GAA P10253 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL437998 0.88 DGAT1 (0.62) DGAT1DRD2DRD3
SCHEMBL440817 0.87 DGAT1 (0.61) DGAT1DRD2DRD3
SCHEMBL437812 0.86 DGAT1 (0.54) DGAT1
SCHEMBL441311 0.86 HPGD (0.55) DGAT1PKMKMT2AGAA
Hydrochloric Acid SCHEMBL4930036 0.85 DGAT1 (0.61) DGAT1KMT2A
SCHEMBL440148 0.84 DGAT1 (0.53) DGAT1
SCHEMBL437983 0.84 DGAT1 (0.52) DGAT1
SCHEMBL462632 0.84 DGAT1 (0.61) DGAT1DRD2DRD3
SCHEMBL440809 0.84 DGAT1 (0.60) DGAT1
SCHEMBL440637 0.83 DGAT1 (0.53) DGAT1PKMGAA

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 2/4885PKM 1657/4885KMT2A 667/4885

“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.