SCHEMBL439028

SCHEMBL439028

O=C(NCCNC(=O)N1CCc2nc(-c3ccccc3Cl)sc2C1)c1cn(-c2ccccc2)nc1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 17/20 0.50
SPR P35270 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KDM5B Q9UGL1 1/20 0.35

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
SCHEMBL441483 0.90 DGAT1 (0.49) DGAT1NPC1RAB9AKDM5B
SCHEMBL438989 0.86 DGAT1 (0.51) DGAT1
Benzene SCHEMBL436845 0.77 DGAT1 (0.55) DGAT1KDM5B
SCHEMBL437706 0.77 DGAT1 (0.54) DGAT1KDM5B
SCHEMBL441010 0.77 DGAT1 (0.46) DGAT1
Methane SCHEMBL437966 0.76 DGAT1 (0.54) DGAT1KDM5B
SCHEMBL440803 0.76 DGAT1 (0.56) DGAT1
SCHEMBL14305126 0.76 DGAT1 (0.46) DGAT1KDM5B
SCHEMBL437998 0.75 DGAT1 (0.62) DGAT1KDM5B
SCHEMBL441025 0.75 DGAT1 (0.52) DGAT1KDM5B

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 2/4885SPR 2972/4885NPC1 142/4885

“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.