SCHEMBL2772166

SCHEMBL2772166

Cc1ccccc1-c1ccc(C(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.65
CASP6 P55212 2/20 0.57
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
POLB P06746 3/20 0.55
CES2 O00748 1/20 0.55
CES1 P23141 1/20 0.55
LMNA P02545 1/20 0.53
HCAR3 P49019 8/20 0.52
L3MBTL1 Q9Y468 2/20 0.50
ALDH1A1 P00352 2/20 0.50
TLR9 Q9NR96 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
MAPT P10636 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL2773025 0.89 TSHR (0.52) TSHRCASP6MEN1KMT2APOLB
SCHEMBL5696841 0.88 TSHR (0.65) TSHRCASP6MEN1KMT2APOLB
Hydrochloric Acid SCHEMBL9784149 0.86 CASP6 (0.62) TSHRCASP6POLBLMNAHCAR3
SCHEMBL11195885 0.86 CASP6 (0.75) TSHRCASP6LMNAHCAR3
SCHEMBL2773008 0.85 VCAM1 (0.54) MEN1KMT2APOLBCES2CES1
SCHEMBL6555682 0.84 POLB (0.59) TSHRCASP6POLBLMNAHCAR3
SCHEMBL6555690 0.84 POLB (0.59) TSHRCASP6POLBLMNAHCAR3
SCHEMBL99918 0.81 CASP6 (0.64) TSHRCASP6POLBLMNAHCAR3
SCHEMBL272092 0.81 TTR (0.56) TSHRKMT2APOLBCES2CES1
SCHEMBL8961733 0.80 HCAR3 (0.66) TSHRMEN1KMT2APOLBHCAR3

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 28 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-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-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
US-20100240658-A1 Oxadiazole Derivatives MERCK SERONO SA (CH) 2010-09-23 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-2009043889-A2 OXADIAZOLE DERIVATIVES 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-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 TSHR 734/4885CASP6 2131/4885MEN1 955/4885
US-20100240658-A1 Oxadiazole Derivatives OXA1L, RO60, NQO2 TSHR 722/4885CASP6 1777/4885MEN1 1660/4885
US-20130109676-A1 Oxadiazole Diaryl Compounds OXA1L, RO60, SSB TSHR 718/4885CASP6 2853/4885MEN1 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.