SCHEMBL439865

SCHEMBL439865

O=C(NCCNC(=O)N1CCN(c2ccccn2)CC1)c1cn(-c2ccccc2)nc1C(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 13/20 0.57
KMT2A Q03164 2/20 0.53
KDM4E B2RXH2 3/20 0.51
GAA P10253 1/20 0.51
ALDH1A1 P00352 3/20 0.49
MEN1 O00255 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
MAPK1 P28482 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TRPV1 Q8NER1 1/20 0.48
NAMPT P43490 1/20 0.47

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
SCHEMBL440817 0.90 DGAT1 (0.61) DGAT1
SCHEMBL437998 0.87 DGAT1 (0.62) DGAT1
SCHEMBL463686 0.85 DGAT1 (0.55) DGAT1
Hydrochloric Acid SCHEMBL4930036 0.84 DGAT1 (0.61) DGAT1KMT2AMEN1
SCHEMBL462632 0.83 DGAT1 (0.61) DGAT1KDM4E
SCHEMBL463160 0.83 DGAT1 (0.54) DGAT1
SCHEMBL440809 0.83 DGAT1 (0.60) DGAT1ALDH1A1
SCHEMBL439478 0.83 DGAT1 (0.56) DGAT1NAMPT
SCHEMBL440825 0.83 DGAT1 (0.58) DGAT1
SCHEMBL437406 0.82 DGAT1 (0.59) 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 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
WO-2008011130-A2 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-24 WO 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 2/4885KMT2A 667/4885KDM4E 2452/4885

“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.