SCHEMBL439916

SCHEMBL439916

O=C(NCCNC(=O)[C@H]1CC[C@H](c2noc(-c3ccccc3)n2)CC1)c1cn(-c2ccccc2)nc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 17/20 0.49
ALDH1A1 P00352 1/20 0.41
KDM5B Q9UGL1 1/20 0.39
POLB P06746 1/20 0.39
CASP3 P42574 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39

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
SCHEMBL463006 1.00 DGAT1 (0.49) DGAT1ALDH1A1KDM5BPOLBCASP3
SCHEMBL439167 0.90 DGAT1 (0.51) DGAT1ALDH1A1
SCHEMBL439166 0.90 DGAT1 (0.51) DGAT1ALDH1A1
SCHEMBL442372 0.88 DGAT1 (0.49) DGAT1ALDH1A1KDM5BPOLB
SCHEMBL440436 0.88 DGAT1 (0.49) DGAT1KDM5B
SCHEMBL440437 0.88 DGAT1 (0.49) DGAT1KDM5B
SCHEMBL441745 0.86 DGAT1 (0.51) DGAT1
SCHEMBL441744 0.86 DGAT1 (0.51) DGAT1
SCHEMBL442873 0.85 DGAT1 (0.54) DGAT1ALDH1A1KDM5B
SCHEMBL463142 0.85 DGAT1 (0.50) DGAT1ALDH1A1KDM5B

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 2/4885ALDH1A1 272/4885KDM5B 2489/4885

“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.