SCHEMBL410318

SCHEMBL410318

COCc1cc(C(=O)OC)ccc1-c1cccc(F)c1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 0.43
GRM2 Q14416 2/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TSHR P16473 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KCNH2 Q12809 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.39
MAPK14 Q16539 2/20 0.39
BDKRB1 P46663 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
CASP3 P42574 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
IL2 P60568 2/20 0.38
LOXL2 Q9Y4K0 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
SCHEMBL410448 0.89 MRGPRX4 (0.43) NPC1RAB9ALMNAMAPTHTT
SCHEMBL407699 0.87 NPC1 (0.47) PDK2NPC1RAB9ALMNAMAPT
SCHEMBL406509 0.86 IL2 (0.43) PDK2NPC1RAB9ALMNAMAPT
SCHEMBL406399 0.82 MAPK14 (0.44) PDK2NPC1RAB9ALMNAMAPT
SCHEMBL410064 0.79 PDK2 (0.45) PDK2NPC1RAB9ALMNAMAPT
SCHEMBL319975 0.78 S1PR1 (0.46) PDK2NPC1RAB9ALMNAMAPT
SCHEMBL16502539 0.78 NPC1 (0.45) PDK2NPC1RAB9AMAPTHTT
SCHEMBL18216620 0.77 CA12 (0.47) LMNAMAPTHTTSMN1; SMN2MRGPRX4
SCHEMBL536245 0.77 TRPA1 (0.49) PDK2SMN1; SMN2TSHRMRGPRX4
SCHEMBL408762 0.76 PTGER1 (0.48) NPC1RAB9ALMNAMAPTHTT

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-2414341-B1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2017-09-13 EP disclosed
US-8815919-B2 Oxadiazole derivatives MERCK SERONO SA (CH) 2014-08-26 US disclosed
EP-2414341-A2 OXADIAZOLE DERIVATIVES Merck Serono SA (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

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-20120022109-A1 OXADIAZOLE DERIVATIVES OXA1L, HLA-DRB1, SSB PDK2 404/4885GRM2 799/4885NPC1 3880/4885

“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.