SCHEMBL2773008

SCHEMBL2773008

COC(=O)c1ccc(-c2ccccc2C)c([N+](=O)[O-])c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.54
LMNA P02545 2/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
ALDH1A1 P00352 4/20 0.49
S1PR1 P21453 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
PKM P14618 1/20 0.49
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
POLB P06746 1/20 0.47
HPGD P15428 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
AKR1C4 P17516 1/20 0.46
AKR1C3 P42330 1/20 0.46
AKR1C2 P52895 1/20 0.46
AKR1C1 Q04828 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL30863327 0.89 VCAM1 (0.66) VCAM1LMNAMEN1KMT2AALDH1A1
SCHEMBL6405571 0.86 VCAM1 (0.54) VCAM1LMNAMEN1KMT2AALDH1A1
SCHEMBL13011426 0.85 VCAM1 (0.53) VCAM1LMNAMEN1KMT2AALDH1A1
SCHEMBL2772166 0.85 TSHR (0.65) LMNAMEN1KMT2AALDH1A1CES2
SCHEMBL2484847 0.83 VCAM1 (0.57) VCAM1LMNAMEN1KMT2AALDH1A1
SCHEMBL13635141 0.83 VCAM1 (0.51) VCAM1LMNAMEN1KMT2AALDH1A1
SCHEMBL3775502 0.83 ERN1 (0.54) VCAM1LMNAMEN1KMT2AALDH1A1
SCHEMBL13011190 0.83 VCAM1 (0.51) VCAM1MEN1KMT2AALDH1A1RXFP1
SCHEMBL13011439 0.83 VCAM1 (0.51) VCAM1LMNAMEN1KMT2AALDH1A1
SCHEMBL410258 0.82 PDK2 (0.51) ALDH1A1HPGDGAAMAPT

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2193125-B1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2017-01-11 EP disclosed
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-8202865-B2 Oxadiazole derivatives MERCK SERONO SA (CH) 2012-06-19 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
US-20100240658-A1 Oxadiazole Derivatives MERCK SERONO SA (CH) 2010-09-23 US disclosed
EP-2193126-A1 OXADIAZOLE DIARYL COMPOUNDS Merck Serono S.A. (CH) 2010-06-09 EP disclosed
EP-2193125-A2 OXADIAZOLE DERIVATIVES 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
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-20100305104-A1 Oxadiazole Diaryl Compounds OXA1L, RO60, SSB VCAM1 1211/4885LMNA 4666/4885MEN1 955/4885
US-20100240658-A1 Oxadiazole Derivatives OXA1L, RO60, NQO2 VCAM1 1051/4885LMNA 4578/4885MEN1 1660/4885
US-20130109676-A1 Oxadiazole Diaryl Compounds OXA1L, RO60, SSB VCAM1 797/4885LMNA 4667/4885MEN1 868/4885

“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.