SCHEMBL463679

SCHEMBL463679

O=C(NNC(=O)C1CCC(c2nnc(-c3ccccc3)[nH]2)CC1)c1cn(-c2ccccc2)nc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 13/20 0.46
LMNA P02545 1/20 0.35
AURKA O14965 1/20 0.34
TP53 P04637 1/20 0.34
KDM5B Q9UGL1 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL440252 0.89 DGAT1 (0.50) DGAT1KDM5B
SCHEMBL440253 0.89 DGAT1 (0.50) DGAT1KDM5B
SCHEMBL439005 0.74 DGAT1 (0.49) DGAT1KDM5B
SCHEMBL439006 0.74 DGAT1 (0.49) DGAT1KDM5B
SCHEMBL442825 0.73 DGAT1 (0.50) DGAT1ALDH1A1
SCHEMBL10280102 0.73 DGAT1 (0.50) DGAT1ALDH1A1
SCHEMBL439804 0.72 DGAT1 (0.58) DGAT1
SCHEMBL439826 0.72 DGAT1 (0.60) DGAT1TP53
SCHEMBL463368 0.72 DGAT1 (0.60) DGAT1TP53
SCHEMBL441855 0.71 DGAT1 (0.54) DGAT1ALDH1A1

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 1 patent. 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

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 2/4885LMNA 4016/4885AURKA 4627/4885

“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.