SCHEMBL406845

SCHEMBL406845

COC(=O)c1ccc(C(N)=NO)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.51
NPC1 O15118 8/20 0.51
HPGD P15428 7/20 0.51
SMN1; SMN2 Q16637 6/20 0.51
L3MBTL1 Q9Y468 3/20 0.50
CASP3 P42574 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
MAPT P10636 5/20 0.49
ALOX15 P16050 1/20 0.48
GAA P10253 3/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GLA P06280 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
ATM Q13315 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ABL1 P00519 1/20 0.46
PKM P14618 2/20 0.46
RECQL P46063 1/20 0.45

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
SCHEMBL9968899 1.00 RAB9A (0.51) RAB9ANPC1HPGDSMN1; SMN2L3MBTL1
SCHEMBL406844 1.00 RAB9A (0.51) RAB9ANPC1HPGDSMN1; SMN2L3MBTL1
SCHEMBL2773888 0.89 MRGPRX4 (0.43) RAB9ANPC1HPGDSMN1; SMN2L3MBTL1
SCHEMBL2772950 0.88 SMN1; SMN2 (0.47) RAB9ANPC1HPGDSMN1; SMN2L3MBTL1
SCHEMBL17864554 0.88 HPGD (0.51) RAB9ANPC1HPGDSMN1; SMN2L3MBTL1
SCHEMBL19583276 0.88 HPGD (0.51) RAB9ANPC1HPGDSMN1; SMN2L3MBTL1
SCHEMBL19583275 0.88 HPGD (0.51) RAB9ANPC1HPGDSMN1; SMN2L3MBTL1
SCHEMBL9968909 0.88 SMN1; SMN2 (0.47) RAB9ANPC1HPGDSMN1; SMN2L3MBTL1
SCHEMBL2772953 0.88 SMN1; SMN2 (0.47) RAB9ANPC1HPGDSMN1; SMN2L3MBTL1
SCHEMBL6116186 0.84 GAA (0.50) RAB9ANPC1HPGDSMN1; SMN2L3MBTL1

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 15 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
EP-2193125-B1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2017-01-11 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-8202865-B2 Oxadiazole derivatives MERCK SERONO SA (CH) 2012-06-19 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
US-20100240658-A1 Oxadiazole Derivatives MERCK SERONO SA (CH) 2010-09-23 US disclosed
EP-2193125-A2 OXADIAZOLE DERIVATIVES Merck Serono S.A. (CH) 2010-06-09 EP disclosed
WO-2009043889-A2 OXADIAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2009-04-09 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 (3 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 RAB9A 2090/4885NPC1 4814/4885HPGD 1367/4885
US-20120022109-A1 OXADIAZOLE DERIVATIVES OXA1L, HLA-DRB1, SSB RAB9A 4195/4885NPC1 3880/4885HPGD 786/4885
US-20120035226-A1 OXADIAZOLE DERIVATIVES OXA1L, HLA-DRB1, SSB RAB9A 4195/4885NPC1 3880/4885HPGD 786/4885

“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.