SCHEMBL536635

SCHEMBL536635

Cc1cc(CO)ccc1C(N)=NO

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.40
LMNA P02545 2/20 0.38
GFER P55789 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NOS3 P29474 3/20 0.38
NOS1 P29475 3/20 0.38
PRSS1 P07477 2/20 0.37
PRSS2 P07478 2/20 0.37
PRSS3 P35030 2/20 0.37
RAB9A P51151 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
HSD17B10 Q99714 1/20 0.33
RECQL P46063 1/20 0.33
NOS2 P35228 2/20 0.33
PLAU P00749 1/20 0.33
ALDH1A1 P00352 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL536634 1.00 GAA (0.40) GAALMNAGFERKMT2AL3MBTL1
SCHEMBL1739363 0.80 ALDH1A1 (0.42) GAALMNAGFERKMT2AL3MBTL1
SCHEMBL1739366 0.80 ALDH1A1 (0.42) GAALMNAGFERKMT2AL3MBTL1
SCHEMBL16080631 0.79 KLKB1 (0.38) GAALMNAL3MBTL1NOS3NOS1
SCHEMBL15705337 0.79 GAA (0.37) GAALMNAGFERL3MBTL1NOS3
SCHEMBL15633640 0.79 KLKB1 (0.38) GAALMNAL3MBTL1NOS3NOS1
SCHEMBL15633480 0.79 GAA (0.37) GAALMNAGFERL3MBTL1NOS3
SCHEMBL15633641 0.79 KLKB1 (0.38) GAALMNAL3MBTL1NOS3NOS1
SCHEMBL5551043 0.78 MKNK1 (0.44) PRSS1PRSS2PRSS3
SCHEMBL1338291 0.78 FFAR1 (0.48) NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2414342-B1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2017-05-31 EP disclosed
US-8802704-B2 Oxadiazole derivatives MERCK SERONO SA (CH) 2014-08-12 US disclosed
US-20120035226-A1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2012-02-09 US disclosed
EP-2414342-A1 OXADIAZOLE DERIVATIVES Merck Serono S.A. (CH) 2012-02-08 EP disclosed
WO-2010112461-A1 OXADIAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2010-10-07 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-20120035226-A1 OXADIAZOLE DERIVATIVES OXA1L, HLA-DRB1, SSB GAA 3238/4885LMNA 4847/4885GFER 1446/4885

“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.