SCHEMBL2803642

SCHEMBL2803642

COCCN(Cc1cccc(/C(N)=N/O)c1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
LOXL2 Q9Y4K0 1/20 0.40
F2 P00734 1/20 0.40
PRSS1 P07477 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PPARG P37231 1/20 0.40
CASR P41180 1/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
TDP1 Q9NUW8 1/20 0.38
SLC7A5 Q01650 1/20 0.38
MEP1B Q16820 1/20 0.38
BMP1 P13497 1/20 0.38

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
SCHEMBL2775497 1.00 HDAC1 (0.45) HDAC1HDAC6LOXL2F2PRSS1
SCHEMBL2775495 1.00 HDAC1 (0.45) HDAC1HDAC6LOXL2F2PRSS1
SCHEMBL9968923 0.85 HDAC1 (0.43) HDAC1HDAC6F2PRSS1KDM4E
SCHEMBL2774547 0.85 HDAC3 (0.43) HDAC1HDAC6F2PRSS1ALDH1A1
SCHEMBL2810622 0.85 HDAC3 (0.43) HDAC1HDAC6F2PRSS1ALDH1A1
SCHEMBL2774550 0.85 HDAC3 (0.43) HDAC1HDAC6F2PRSS1ALDH1A1
SCHEMBL9968930 0.83 HDAC6 (0.44) HDAC6F2PRSS1SMN1; SMN2BMP1
SCHEMBL12505590 0.78 MEN1 (0.54) KMT2AMEN1
SCHEMBL12505623 0.78 MEN1 (0.54) KMT2AMEN1
SCHEMBL12505591 0.78 MEN1 (0.54) KMT2AMEN1

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
EP-2193125-B1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2017-01-11 EP disclosed
US-8202865-B2 Oxadiazole derivatives MERCK SERONO SA (CH) 2012-06-19 US disclosed
US-20100240658-A1 Oxadiazole Derivatives MERCK SERONO SA (CH) 2010-09-23 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 (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-20100240658-A1 Oxadiazole Derivatives OXA1L, RO60, NQO2 HDAC1 233/4885HDAC6 318/4885LOXL2 2947/4885

“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.