SCHEMBL2771674

SCHEMBL2771674

COc1ccccc1-c1noc(-c2ccc(-c3ccccc3C)c(C)c2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 14/20 1.00
▸ ALDH1A1 P00352 3/20 0.72
▸ RAB9A P51151 3/20 0.72
▸ SMN1; SMN2 Q16637 3/20 0.72
▸ NPC1 O15118 2/20 0.72
▸ KDM4E B2RXH2 2/20 0.72
▸ TSHR P16473 2/20 0.72
▸ HSD17B10 Q99714 2/20 0.72
▸ HPGD P15428 1/20 0.72
▸ NPSR1 Q6W5P4 1/20 0.72
▸ TP53 P04637 3/20 0.67
▸ L3MBTL1 Q9Y468 1/20 0.67
▸ NR1H4 Q96RI1 1/20 0.62

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
SCHEMBL2772770 0.96 S1PR1 (0.93) S1PR1ALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL2775237 0.94 S1PR1 (0.88) S1PR1ALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL2771501 0.93 S1PR1 (1.00) S1PR1ALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL3766503 0.89 S1PR1 (1.00) S1PR1ALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL2773198 0.89 S1PR1 (0.80) S1PR1ALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL3759437 0.88 S1PR1 (0.85) S1PR1ALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL3756364 0.88 S1PR1 (0.84) S1PR1ALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL3770955 0.88 S1PR1 (1.00) S1PR1ALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL3759388 0.86 S1PR1 (1.00) S1PR1ALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL2773854 0.86 S1PR1 (0.76) S1PR1RAB9ASMN1; SMN2NPC1KDM4E

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 277/4885ALDH1A1 263/4885RAB9A 1744/4885
US-20130109676-A1 Oxadiazole Diaryl Compounds OXA1L, RO60, SSB S1PR1 174/4885ALDH1A1 183/4885RAB9A 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.

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