SCHEMBL3600282

SCHEMBL3600282

O=C(O)CN(Cc1ccccn1)C(=O)c1nc(-c2ccccc2)oc1CCl

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 9/20 0.46
PPARG P37231 5/20 0.46
L3MBTL1 Q9Y468 1/20 0.42
IKBKB O14920 1/20 0.39
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 4/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL13547014 0.92 PPARA (0.47) PPARAPPARGL3MBTL1IKBKBFNTA
SCHEMBL3605095 0.87 PPARA (0.45) PPARAPPARGL3MBTL1ALDH1A1
SCHEMBL3609694 0.87 PPARA (0.55) PPARAPPARGL3MBTL1KDM4E
SCHEMBL3619631 0.85 DGAT1 (0.48) PPARAPPARGL3MBTL1
SCHEMBL3615928 0.85 PPARG (0.40) PPARAPPARGL3MBTL1KMT2AALDH1A1
SCHEMBL14219122 0.84 PPARA (0.47) PPARAPPARGL3MBTL1
SCHEMBL3604902 0.81 PPARA (0.49) PPARAPPARGL3MBTL1ALDH1A1KDM4E
SCHEMBL3832671 0.81 PPARG (0.41) PPARAPPARGL3MBTL1IKBKBFNTA
SCHEMBL3619637 0.81 PPARA (0.49) PPARAPPARGL3MBTL1IKBKBALDH1A1
SCHEMBL3623449 0.81 PPARA (0.49) PPARAPPARGL3MBTL1ALDH1A1KDM4E

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-20100076005-A1 ISOCARBOSTYRIL ALKALOID DERIVATIVES HAVING ANTI-PROLIFERATIVE AND ANTI-MIGRATORY ACTIVITIES UNIBIOSCREEN SA (BE) 2010-03-25 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 1817/4885L3MBTL1 2972/4885
US-20100076005-A1 ISOCARBOSTYRIL ALKALOID DERIVATIVES HAVING ANTI-PROLIFERATIVE AND ANTI-MIGRATORY ACTIVITIES MIF, IMPDH1, IMPDH2 PPARA 4363/4885PPARG 4457/4885L3MBTL1 2470/4885

“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.