SCHEMBL2813593

SCHEMBL2813593

COc1ccccc1-c1noc(-c2ccc(CC(C)C)cc2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 8/20 1.00
SMN1; SMN2 Q16637 7/20 0.69
RAB9A P51151 7/20 0.69
NPC1 O15118 6/20 0.69
TP53 P04637 5/20 0.69
ALDH1A1 P00352 3/20 0.69
L3MBTL1 Q9Y468 1/20 0.69
HSD17B10 Q99714 4/20 0.63
KDM4E B2RXH2 3/20 0.63
TSHR P16473 3/20 0.63
HPGD P15428 2/20 0.63
NPSR1 Q6W5P4 2/20 0.63
CA2 P00918 1/20 0.60
CA9 Q16790 1/20 0.60
POLB P06746 1/20 0.57
RXFP1 Q9HBX9 1/20 0.56

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
SCHEMBL3763954 0.87 S1PR1 (0.77) S1PR1SMN1; SMN2RAB9ANPC1TP53
SCHEMBL16844821 0.82 S1PR1 (0.70) S1PR1SMN1; SMN2RAB9ANPC1TP53
SCHEMBL25146394 0.79 S1PR1 (0.64) S1PR1
SCHEMBL8050810 0.79 SMN1; SMN2 (1.00) S1PR1SMN1; SMN2RAB9ANPC1TP53
SCHEMBL1965935 0.79 S1PR1 (0.64) S1PR1SMN1; SMN2RAB9ANPC1TP53
SCHEMBL5501327 0.78 S1PR1 (0.63) S1PR1SMN1; SMN2RAB9ANPC1TP53
SCHEMBL25864161 0.78 S1PR1 (0.62) S1PR1SMN1; SMN2RAB9ANPC1TP53
SCHEMBL5505314 0.75 S1PR1 (0.60) S1PR1SMN1; SMN2RAB9ANPC1TP53
SCHEMBL2772770 0.74 S1PR1 (0.93) S1PR1SMN1; SMN2RAB9ANPC1TP53
SCHEMBL2771674 0.73 S1PR1 (1.00) S1PR1SMN1; SMN2RAB9ANPC1TP53

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 S1PR1 277/4885SMN1; SMN2 1480/4885RAB9A 1744/4885
US-20130109676-A1 Oxadiazole Diaryl Compounds OXA1L, RO60, SSB S1PR1 174/4885SMN1; SMN2 1397/4885RAB9A 1833/4885

“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.