SCHEMBL443338

SCHEMBL443338

O=C(NCCNC(=O)C1CCC(c2nc(-c3ccccn3)no2)CC1)c1cn(-c2ccccc2)nc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 13/20 0.49
EPHX2 P34913 4/20 0.46
KCNH2 Q12809 1/20 0.46
CACNA1C Q13936 1/20 0.46
NPC1 O15118 2/20 0.42
MAPK1 P28482 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
GAA P10253 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL443339 1.00 DGAT1 (0.49) DGAT1EPHX2KCNH2CACNA1CNPC1
SCHEMBL441744 0.90 DGAT1 (0.51) DGAT1
SCHEMBL441745 0.90 DGAT1 (0.51) DGAT1
SCHEMBL442542 0.87 DGAT1 (0.50) DGAT1MAPK1SMN1; SMN2MEN1CYP1A2
SCHEMBL442541 0.87 DGAT1 (0.50) DGAT1MAPK1SMN1; SMN2MEN1CYP1A2
SCHEMBL439166 0.87 DGAT1 (0.51) DGAT1ALDH1A1TP53
SCHEMBL439167 0.87 DGAT1 (0.51) DGAT1ALDH1A1TP53
SCHEMBL463244 0.86 DGAT1 (0.50) DGAT1
SCHEMBL436915 0.86 DGAT1 (0.50) DGAT1
SCHEMBL441610 0.84 DGAT1 (0.48) DGAT1TP53

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 2/4885EPHX2 1660/4885KCNH2 3797/4885

“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.