SCHEMBL441483

SCHEMBL441483

O=C(NCCNC(=O)N1CCc2nc(-c3ccccc3)sc2C1)c1cn(-c2ccccc2)nc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 14/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
KMT2A Q03164 1/20 0.40
PLG P00747 1/20 0.40
KLKB1 P03952 1/20 0.40
KLK1 P06870 1/20 0.40
PRSS1 P07477 1/20 0.40
KDM5B Q9UGL1 2/20 0.39
DGAT2 Q96PD7 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
SCHEMBL439028 0.90 DGAT1 (0.50) DGAT1NPC1RAB9AKDM5B
SCHEMBL438989 0.90 DGAT1 (0.51) DGAT1DGAT2
SCHEMBL437969 0.82 DGAT1 (0.49) DGAT1PLGKLKB1KLK1PRSS1
Benzene SCHEMBL436845 0.80 DGAT1 (0.55) DGAT1KDM5B
SCHEMBL437706 0.80 DGAT1 (0.54) DGAT1KDM5B
Methane SCHEMBL437966 0.79 DGAT1 (0.54) DGAT1KDM5B
SCHEMBL440803 0.79 DGAT1 (0.56) DGAT1
SCHEMBL14305126 0.79 DGAT1 (0.46) DGAT1KDM5B
SCHEMBL437998 0.78 DGAT1 (0.62) DGAT1KDM5B
SCHEMBL441025 0.78 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 2/4885NPC1 142/4885RAB9A 1525/4885

“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.