SCHEMBL409609

SCHEMBL409609

N/C(=N\O)c1cccc(CN(CCO)CCO)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MEP1B Q16820 2/20 0.43
HTT P42858 2/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
PARP1 P09874 1/20 0.40
KDM1A O60341 4/20 0.39
PRSS1 P07477 2/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
F2 P00734 1/20 0.38
GRIN2B Q13224 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
SCHEMBL409610 1.00 TSHR (0.44) TSHRHSD17B10MEN1KMT2AMEP1B
SCHEMBL9968931 0.85 NOS1 (0.39) KDM1APRSS1PRSS2PRSS3F2
SCHEMBL410397 0.83 TSHR (0.38) TSHRHSD17B10MEN1KMT2AMEP1B
SCHEMBL410396 0.83 TSHR (0.38) TSHRHSD17B10MEN1KMT2AMEP1B
SCHEMBL10170390 0.83 TSHR (0.38) TSHRHSD17B10MEN1KMT2AMEP1B
SCHEMBL2774550 0.82 HDAC3 (0.43) KMT2AMEP1BALDH1A1LMNAPARP1
SCHEMBL2810622 0.82 HDAC3 (0.43) KMT2AMEP1BALDH1A1LMNAPARP1
SCHEMBL2774547 0.82 HDAC3 (0.43) KMT2AMEP1BALDH1A1LMNAPARP1
SCHEMBL9968926 0.79 CYP4F2 (0.50) KDM1APRSS1PRSS2PRSS3GRIN2B
SCHEMBL320211 0.79 CYP4F2 (0.50) KDM1APRSS1PRSS2PRSS3GRIN2B

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 21 patents — showing the first 20. 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-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
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-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-8802704-B2 Oxadiazole derivatives MERCK SERONO SA (CH) 2014-08-12 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
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
US-20120022109-A1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2012-01-26 US 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-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
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 TSHR 2360/4885HSD17B10 1058/4885MEN1 1228/4885
US-20120035226-A1 OXADIAZOLE DERIVATIVES OXA1L, HLA-DRB1, SSB TSHR 2360/4885HSD17B10 1058/4885MEN1 1228/4885

“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.