SCHEMBL4529669

SCHEMBL4529669

COC(=O)[C@H]1CC[C@H](c2nc(-c3cccnc3)no2)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.65
RAB9A P51151 4/20 0.61
KDM4E B2RXH2 2/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
KMT2A Q03164 2/20 0.59
MAPK1 P28482 2/20 0.59
MEN1 O00255 1/20 0.59
GAA P10253 1/20 0.59
HTT P42858 2/20 0.59
EPHX2 P34913 1/20 0.53
KCNH2 Q12809 1/20 0.53
CACNA1C Q13936 1/20 0.53
NPC1 O15118 3/20 0.47
TP53 P04637 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MAPT P10636 3/20 0.47
LMNA P02545 2/20 0.47
HSD11B1 P28845 1/20 0.47
PKM P14618 1/20 0.47
CA12 O43570 1/20 0.46

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
SCHEMBL4529674 1.00 PPARA (0.65) PPARARAB9AKDM4EL3MBTL1KMT2A
SCHEMBL4529230 0.86 CYP1A2 (0.60) PPARARAB9AKDM4EL3MBTL1GAA
SCHEMBL4529235 0.86 CYP1A2 (0.60) PPARARAB9AKDM4EL3MBTL1GAA
SCHEMBL30584896 0.81 ALDH1A1 (0.58) KDM4EKMT2AMAPK1MEN1GAA
SCHEMBL4529678 0.79 NPC1 (0.62) RAB9AKMT2AMAPK1MEN1GAA
SCHEMBL439177 0.79 ALDH1A1 (0.62) RAB9AKDM4EMAPK1GAAHTT
SCHEMBL408370 0.79 ALDH1A1 (0.62) RAB9AKDM4EMAPK1GAAHTT
SCHEMBL2026288 0.77 EPHX2 (0.68) PPARARAB9AKDM4EL3MBTL1KMT2A
SCHEMBL2203319 0.77 PPARA (0.80) PPARARAB9AKDM4EL3MBTL1KMT2A
SCHEMBL29891437 0.76 PPARA (0.78) PPARARAB9AKDM4EL3MBTL1KMT2A

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-8207147-B2 Heterocyclic derivatives as GPCR receptor agonists PROSIDION LIMITED (GB) 2012-06-26 US disclosed
US-20090281060-A1 HETEROCYCLIC DERIVATIVES AS GPCR RECEPTOR AGONISTS PROSIDION LIMITED (GB) 2009-11-12 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-20090281060-A1 HETEROCYCLIC DERIVATIVES AS GPCR RECEPTOR AGONISTS GPR119, GCGR, GLP1R PPARA 303/4885RAB9A 834/4885KDM4E 3510/4885

“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.