SCHEMBL3603476

SCHEMBL3603476

Cc1oc(-c2cccc(N)c2)nc1C(=O)N(CC(=O)O)Cc1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 12/20 0.47
PPARA Q07869 12/20 0.47
KDM1A O60341 1/20 0.39
TARBP2 Q15633 1/20 0.39
NPC1 O15118 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
CYP2C9 P11712 1/20 0.37
KCNH2 Q12809 1/20 0.37
POLB P06746 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL3613267 0.91 PPARA (0.48) PPARGPPARATARBP2SMN1; SMN2L3MBTL1
SCHEMBL3609694 0.90 PPARA (0.55) PPARGPPARATARBP2SMN1; SMN2L3MBTL1
SCHEMBL3619637 0.90 PPARA (0.49) PPARGPPARATARBP2SMN1; SMN2L3MBTL1
SCHEMBL3620095 0.89 PPARG (0.47) PPARGPPARATARBP2SMN1; SMN2POLB
SCHEMBL3621244 0.87 PPARG (0.49) PPARGPPARASMN1; SMN2CYP2C9KCNH2
SCHEMBL3613370 0.86 PPARG (0.45) PPARGPPARACYP2C9KCNH2RAB9A
SCHEMBL3611069 0.86 PPARG (0.44) PPARGPPARANPC1SMN1; SMN2MAPK1
SCHEMBL3604902 0.85 PPARA (0.49) PPARGPPARATARBP2SMN1; SMN2L3MBTL1
SCHEMBL3623449 0.84 PPARA (0.49) PPARGPPARATARBP2SMN1; SMN2L3MBTL1
SCHEMBL3612297 0.84 PPARG (0.43) PPARGPPARATARBP2SMN1; SMN2L3MBTL1

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 3 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
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

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 2162/4885KDM1A 2090/4885

“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.