SCHEMBL439353

SCHEMBL439353

Cc1nc(S(=O)(=O)N2CCC(C(=O)NCCNC(=O)c3cn(-c4ccccc4)nc3C(F)(F)F)CC2)cn1C

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 13/20 0.48
POLB P06746 1/20 0.44
HPGD P15428 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL441311 0.86 HPGD (0.55) DGAT1HPGDMEN1KMT2A
SCHEMBL437986 0.85 DGAT1 (0.55) DGAT1HPGDMEN1KMT2A
SCHEMBL441604 0.84 DGAT1 (0.54) DGAT1POLBHPGD
SCHEMBL441098 0.83 L3MBTL1 (0.55) DGAT1HPGDKMT2A
SCHEMBL440582 0.83 DGAT1 (0.54) DGAT1POLB
SCHEMBL441376 0.82 DGAT1 (0.49) DGAT1HPGD
SCHEMBL440637 0.82 DGAT1 (0.53) DGAT1HPGD
SCHEMBL14305144 0.82 DGAT1 (0.53) DGAT1POLBKMT2A
SCHEMBL439993 0.81 ALDH1A1 (0.60) DGAT1HPGDKDM4E
SCHEMBL462759 0.80 DGAT1 (0.57) 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 2/4885POLB 2752/4885HPGD 1034/4885

“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.