SCHEMBL410445

SCHEMBL410445

CN(Cc1cccc(C(=N)NO)c1)CC(O)CO

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
DNM1 Q05193 1/20 0.37
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
MEP1B Q16820 6/20 0.36
MEP1A Q16819 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 1/20 0.35
S1PR1 P21453 1/20 0.34
PRSS1 P07477 1/20 0.34

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
SCHEMBL2774179 0.81 SIGMAR1 (0.43) MEP1BMEP1APDCD1CD274PRSS1
SCHEMBL6448577 0.79 NOS1 (0.44) MEP1BMEP1AMEN1KMT2AGRIN2D
SCHEMBL410443 0.77 KDM4E (0.37) KDM4ETDP1DNM1PRMT5WDR77
SCHEMBL410444 0.77 KDM4E (0.37) KDM4ETDP1DNM1PRMT5WDR77
SCHEMBL2775292 0.75 HDAC6 (0.48) MEP1BMEP1A
SCHEMBL721952 0.74 DNM1 (0.59) KDM4EDNM1PRMT5WDR77MEN1
SCHEMBL17824014 0.74 DNM1 (0.59) KDM4EDNM1PRMT5WDR77MEN1
SCHEMBL17823521 0.74 DNM1 (0.59) KDM4EDNM1PRMT5WDR77MEN1
SCHEMBL7087183 0.73 MEN1 (0.54) MEP1BMEP1AMEN1KMT2A
SCHEMBL409611 0.72 MEP1B (0.47) KDM4EMEP1BMEP1AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2414341-B1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2017-09-13 EP disclosed
EP-2414342-B1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2017-05-31 EP disclosed
US-8815919-B2 Oxadiazole derivatives MERCK SERONO SA (CH) 2014-08-26 US 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
US-20120022109-A1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2012-01-26 US disclosed
WO-2010115751-A2 OXADIAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2010-10-14 WO 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 (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-20120022109-A1 OXADIAZOLE DERIVATIVES OXA1L, HLA-DRB1, SSB KDM4E 1908/4885TDP1 1556/4885DNM1 1563/4885
US-20120035226-A1 OXADIAZOLE DERIVATIVES OXA1L, HLA-DRB1, SSB KDM4E 1908/4885TDP1 1556/4885DNM1 1563/4885

“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.