SCHEMBL441311

SCHEMBL441311

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

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.55
GAA P10253 3/20 0.54
DGAT1 O75907 8/20 0.54
MAPT P10636 1/20 0.52
ALDH1A1 P00352 4/20 0.50
USP2 O75604 1/20 0.50
HTT P42858 1/20 0.50
PKM P14618 1/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48

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
SCHEMBL440637 0.96 DGAT1 (0.53) HPGDGAADGAT1MAPTALDH1A1
SCHEMBL439993 0.93 ALDH1A1 (0.60) HPGDGAADGAT1ALDH1A1
SCHEMBL437986 0.90 DGAT1 (0.55) HPGDDGAT1MAPTMEN1KMT2A
SCHEMBL441604 0.90 DGAT1 (0.54) HPGDDGAT1
SCHEMBL441098 0.90 L3MBTL1 (0.55) HPGDGAADGAT1MAPTALDH1A1
SCHEMBL440582 0.90 DGAT1 (0.54) DGAT1MAPT
SCHEMBL441376 0.87 DGAT1 (0.49) HPGDGAADGAT1ALDH1A1
SCHEMBL438032 0.87 DGAT1 (0.51) HPGDDGAT1
SCHEMBL442841 0.87 DGAT1 (0.50) HPGDDGAT1MAPT
SCHEMBL14305144 0.86 DGAT1 (0.53) DGAT1KMT2A

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 HPGD 1034/4885GAA 106/4885DGAT1 2/4885

“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.