SCHEMBL3609694

SCHEMBL3609694

Cc1oc(-c2ccccc2)nc1C(=O)N(CC(=O)O)Cc1ccccn1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 11/20 0.55
PPARG P37231 10/20 0.55
TARBP2 Q15633 2/20 0.46
KDM4E B2RXH2 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
POLB P06746 2/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
GAA P10253 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
SLC9A1 P19634 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
SCHEMBL3604902 0.94 PPARA (0.49) PPARAPPARGTARBP2KDM4ESMN1; SMN2
SCHEMBL3623449 0.93 PPARA (0.49) PPARAPPARGTARBP2KDM4ESMN1; SMN2
SCHEMBL3619637 0.93 PPARA (0.49) PPARAPPARGTARBP2KDM4ESMN1; SMN2
SCHEMBL3613267 0.92 PPARA (0.48) PPARAPPARGTARBP2KDM4ESMN1; SMN2
SCHEMBL3612881 0.91 PPARA (0.54) PPARAPPARGTARBP2KDM4EL3MBTL1
SCHEMBL3620218 0.90 PPARG (0.47) PPARAPPARGTARBP2
SCHEMBL3603476 0.90 PPARG (0.47) PPARAPPARGTARBP2KDM4ESMN1; SMN2
SCHEMBL3620095 0.90 PPARG (0.47) PPARAPPARGTARBP2SMN1; SMN2POLB
SCHEMBL3621244 0.89 PPARG (0.49) PPARAPPARGKDM4ESMN1; SMN2POLB
SCHEMBL3613370 0.88 PPARG (0.45) PPARAPPARGKDM4ERAB9ATDP1

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 PPARA 2162/4885PPARG 1817/4885TARBP2 3459/4885

“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.