SCHEMBL3615928

SCHEMBL3615928

O=C(O)CN(Cc1ccccn1)C(=O)c1nc(-c2ccccc2)oc1CN1CCOCC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
DGAT1 O75907 2/20 0.39
ALDH1A1 P00352 6/20 0.39
KDM4E B2RXH2 5/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 2/20 0.39
MAPT P10636 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
GPR55 Q9Y2T6 1/20 0.38
LMNA P02545 3/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 1/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL3600282 0.85 PPARA (0.46) PPARGPPARAALDH1A1KDM4EMAPT
SCHEMBL3837406 0.83 ALDH1A1 (0.41) PPARGPPARADGAT1ALDH1A1KDM4E
SCHEMBL13547014 0.83 PPARA (0.47) PPARGPPARADGAT1ALDH1A1KDM4E
SCHEMBL3605095 0.79 PPARA (0.45) PPARGPPARAALDH1A1L3MBTL1NPSR1
SCHEMBL3609694 0.79 PPARA (0.55) PPARGPPARAKDM4EPOLBMAPK1
SCHEMBL3619631 0.77 DGAT1 (0.48) PPARGPPARADGAT1L3MBTL1
SCHEMBL2484645 0.77 ALDH1A1 (0.51) DGAT1ALDH1A1KDM4EMAPK1
SCHEMBL14219122 0.76 PPARA (0.47) PPARGPPARAL3MBTL1
SCHEMBL3604902 0.74 PPARA (0.49) PPARGPPARAALDH1A1KDM4EPOLB
SCHEMBL3623449 0.73 PPARA (0.49) PPARGPPARAALDH1A1KDM4EPOLB

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100022541-A1 Chemical inhibitors of bacterial heptose synthesis, methods for their preparation and biological applications of said inhibitors MUTABILIS SA (FR) 2010-01-28 US disclosed
US-20100022541-A1 Chemical inhibitors of bacterial heptose synthesis, methods for their preparation and biological applications of said inhibitors MUTABILIS SA (FR) 2010-01-28 US disclosed
US-20100022541-A1 Chemical inhibitors of bacterial heptose synthesis, methods for their preparation and biological applications of said inhibitors MUTABILIS SA (FR) 2010-01-28 US disclosed
EP-2104671-A2 SUBSTITUTED HETEROCYCLYLCARBONYLAMINO-ACETIC-ACID-DERIVATIVES AS INHIBITORS OF BACTERIAL HEPTOSE SYNTHESIS, METHODS FOR THEIR PREPARATION AND BIOLOGICAL APPLICATIONS OF SAID INHIBITORS Mutabilis SA (FR) 2009-09-30 EP disclosed
WO-2008038136-A2 SUBSTITUTED HETEROCYCLYLCARBONYLAMINO-ACETIC-ACID-DERIVATIVES AS INHIBITORS OF BACTERIAL HEPTOSE SYNTHESIS, METHODS FOR THEIR PREPARATION AND BIOLOGICAL APPLICATIONS OF SAID INHIBITORS MUTABILIS SA (FR) 2008-04-03 WO disclosed
WO-2008038136-A2 SUBSTITUTED HETEROCYCLYLCARBONYLAMINO-ACETIC-ACID-DERIVATIVES AS INHIBITORS OF BACTERIAL HEPTOSE SYNTHESIS, METHODS FOR THEIR PREPARATION AND BIOLOGICAL APPLICATIONS OF SAID INHIBITORS MUTABILIS SA (FR) 2008-04-03 WO 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-20100022541-A1 Chemical inhibitors of bacterial heptose synthesis, methods for their preparation and biological applications of said inhibitors CBR1, OXER1, CBR3 PPARG 1817/4885PPARA 2162/4885DGAT1 909/4885

“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.