SCHEMBL405392

SCHEMBL405392

N/C(=N/O)c1cccc(CC(=O)O)c1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
CTBP2 P56545 3/20 0.44
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
FOLH1 Q04609 1/20 0.42
AGBL2 Q5U5Z8 1/20 0.42
KDM1A O60341 2/20 0.42

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
SCHEMBL405393 1.00 AKR1B1 (0.47) AKR1B1L3MBTL1CYP1A2CYP2C19CTBP2
SCHEMBL7856534 0.84 HPSE (0.60) ITGB3ITGA2BAGBL2
SCHEMBL7864732 0.84 HPSE (0.60) ITGB3ITGA2BAGBL2
SCHEMBL2426602 0.82 AKR1B1 (0.54) AKR1B1L3MBTL1CYP1A2CYP2C19ITGB3
SCHEMBL12747585 0.81 L3MBTL1 (0.51) L3MBTL1CYP1A2CYP2C19CTBP2KDM1A
SCHEMBL408725 0.80 KDM1A (0.43) L3MBTL1KDM1A
SCHEMBL408726 0.80 KDM1A (0.43) L3MBTL1KDM1A
SCHEMBL19154056 0.80 CTBP2 (0.47) AKR1B1CYP1A2CYP2C19CTBP2FOLH1
SCHEMBL3458208 0.80 CYP1A2 (0.53) L3MBTL1CYP1A2CYP2C19KDM1A
SCHEMBL3458206 0.80 CYP1A2 (0.53) L3MBTL1CYP1A2CYP2C19KDM1A

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 10 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-2414341-A2 OXADIAZOLE DERIVATIVES Merck Serono SA (CH) 2012-02-08 EP 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 AKR1B1 910/4885L3MBTL1 4637/4885CYP1A2 718/4885
US-20120035226-A1 OXADIAZOLE DERIVATIVES OXA1L, HLA-DRB1, SSB AKR1B1 910/4885L3MBTL1 4637/4885CYP1A2 718/4885

“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.