SCHEMBL13834409

SCHEMBL13834409

CC(C)(C)OC(=O)N1CC[C@@H](CNc2ncccc2[N+](=O)[O-])C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.46
DPP7 Q9UHL4 1/20 0.46
IDO1 P14902 2/20 0.46
TDO2 P48775 1/20 0.46
LMNA P02545 1/20 0.45
KDM4E B2RXH2 1/20 0.45
PKM P14618 1/20 0.45
IRAK1 P51617 1/20 0.45
NR1D1 P20393 1/20 0.44
GPR119 Q8TDV5 3/20 0.44
JAK2 O60674 1/20 0.43
JAK3 P52333 1/20 0.43
PTK2 Q05397 1/20 0.43
CCNT1 O60563 1/20 0.43
CDK9 P50750 1/20 0.43
ACKR3 P25106 1/20 0.43
PRKCQ Q04759 1/20 0.42
GRIN2B Q13224 1/20 0.42
NPC1 O15118 1/20 0.41
USP30 Q70CQ3 1/20 0.41

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
SCHEMBL13834994 0.85 IDO1 (0.50) IDO1TDO2KDM4EPKMIRAK1
SCHEMBL13960438 0.84 IDO1 (0.51) IDO1TDO2KDM4EPKMNR1D1
SCHEMBL13834692 0.84 IDO1 (0.49) IDO1TDO2KDM4EPKMIRAK1
SCHEMBL29124390 0.83 BTK (0.50) GPR119JAK2JAK3PRKCQUSP30
SCHEMBL28876430 0.83 BTK (0.50) GPR119JAK2JAK3PRKCQUSP30
SCHEMBL30085312 0.83 BTK (0.50) GPR119JAK2JAK3PRKCQUSP30
SCHEMBL12126177 0.83 BTK (0.50) GPR119JAK2JAK3PRKCQUSP30
SCHEMBL31170913 0.83 BTK (0.50) GPR119JAK2JAK3PRKCQUSP30
SCHEMBL13834840 0.83 IDO1 (0.51) IDO1TDO2KDM4EPKMIRAK1
SCHEMBL13834992 0.83 DPP4 (0.50) DPP4DPP7LMNAKDM4EPKM

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-20120295915-A1 AZABENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC 2012-11-22 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-20120295915-A1 AZABENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS FASN, FADS1, COASY DPP4 1831/4885DPP7 2106/4885IDO1 2039/4885

“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.