SCHEMBL2773181

SCHEMBL2773181

O=C(O)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1

nearest known ligand 0.77

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.77
GAA P10253 5/20 0.77
PKM P14618 2/20 0.77
L3MBTL1 Q9Y468 2/20 0.77
SMN1; SMN2 Q16637 4/20 0.71
MAPK1 P28482 3/20 0.71
MAPT P10636 2/20 0.71
TDP1 Q9NUW8 2/20 0.71
HTT P42858 1/20 0.71
POLB P06746 4/20 0.70
KDM4E B2RXH2 3/20 0.70
MEN1 O00255 3/20 0.68
KMT2A Q03164 3/20 0.68
GFER P55789 1/20 0.64
LMNA P02545 1/20 0.61
HSD17B10 Q99714 1/20 0.60

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
SCHEMBL2775026 1.00 ALDH1A1 (0.77) ALDH1A1GAAPKML3MBTL1SMN1; SMN2
SCHEMBL29805521 1.00 ALDH1A1 (0.77) ALDH1A1GAAPKML3MBTL1SMN1; SMN2
SCHEMBL31380218 0.98 ALDH1A1 (0.74) ALDH1A1GAAPKML3MBTL1SMN1; SMN2
SCHEMBL2773960 0.98 ALDH1A1 (0.74) ALDH1A1GAAPKML3MBTL1SMN1; SMN2
SCHEMBL17303454 0.90 ALDH1A1 (0.79) ALDH1A1GAAPKML3MBTL1SMN1; SMN2
SCHEMBL2774797 0.88 ALDH1A1 (0.62) ALDH1A1GAAPKML3MBTL1SMN1; SMN2
SCHEMBL28751662 0.88 ALDH1A1 (0.76) ALDH1A1GAAPKML3MBTL1SMN1; SMN2
SCHEMBL15801120 0.87 ALDH1A1 (0.75) ALDH1A1GAAPKML3MBTL1SMN1; SMN2
SCHEMBL31588079 0.87 ALDH1A1 (0.75) ALDH1A1GAAPKML3MBTL1SMN1; SMN2
SCHEMBL29805427 0.87 ALDH1A1 (0.75) ALDH1A1GAAPKML3MBTL1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2193126-B1 OXADIAZOLE DIARYL COMPOUNDS MERCK SERONO SA (CH) 2015-06-24 EP disclosed
EP-2193126-B1 OXADIAZOLE DIARYL COMPOUNDS MERCK SERONO SA (CH) 2015-06-24 EP disclosed
US-8889668-B2 Oxadiazole diaryl compounds MERCK SERONO SA (CH) 2014-11-18 US disclosed
US-8889668-B2 Oxadiazole diaryl compounds MERCK SERONO SA (CH) 2014-11-18 US disclosed
US-8889668-B2 Oxadiazole diaryl compounds MERCK SERONO SA (CH) 2014-11-18 US disclosed
US-20130109676-A1 Oxadiazole Diaryl Compounds MERCK SERONO SA (CH) 2013-05-02 US disclosed
US-20130109676-A1 Oxadiazole Diaryl Compounds MERCK SERONO SA (CH) 2013-05-02 US disclosed
US-20130109676-A1 Oxadiazole Diaryl Compounds MERCK SERONO SA (CH) 2013-05-02 US disclosed
US-8404676-B2 Oxadiazole diaryl compounds MERCK SERONO SA (CH) 2013-03-26 US disclosed
US-8404676-B2 Oxadiazole diaryl compounds MERCK SERONO SA (CH) 2013-03-26 US disclosed
US-8404676-B2 Oxadiazole diaryl compounds MERCK SERONO SA (CH) 2013-03-26 US disclosed
US-20100305104-A1 Oxadiazole Diaryl Compounds MERCK SERONO SA 2010-12-02 US disclosed
US-20100305104-A1 Oxadiazole Diaryl Compounds MERCK SERONO SA 2010-12-02 US disclosed
US-20100305104-A1 Oxadiazole Diaryl Compounds MERCK SERONO SA 2010-12-02 US disclosed
EP-2193126-A1 OXADIAZOLE DIARYL COMPOUNDS Merck Serono S.A. (CH) 2010-06-09 EP disclosed
WO-2009043890-A1 OXADIAZOLE DIARYL COMPOUNDS MERCK SERONO S.A. (CH) 2009-04-09 WO disclosed
WO-2009043890-A1 OXADIAZOLE DIARYL COMPOUNDS 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 (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-20100305104-A1 Oxadiazole Diaryl Compounds OXA1L, RO60, SSB ALDH1A1 263/4885GAA 4556/4885PKM 4453/4885
US-20130109676-A1 Oxadiazole Diaryl Compounds OXA1L, RO60, SSB ALDH1A1 183/4885GAA 4505/4885PKM 4495/4885

“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.