SCHEMBL3765340

SCHEMBL3765340

COc1ccccc1-c1noc(-c2ccc(-c3cscc3C)c(OC)c2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 14/20 1.00
SMN1; SMN2 Q16637 4/20 0.68
ALDH1A1 P00352 3/20 0.68
RAB9A P51151 3/20 0.68
KDM4E B2RXH2 3/20 0.68
HSD17B10 Q99714 3/20 0.68
NPC1 O15118 2/20 0.68
TSHR P16473 2/20 0.68
HPGD P15428 2/20 0.68
NPSR1 Q6W5P4 2/20 0.68
TP53 P04637 3/20 0.60
L3MBTL1 Q9Y468 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
SCHEMBL3766503 0.93 S1PR1 (1.00) S1PR1SMN1; SMN2ALDH1A1RAB9AKDM4E
SCHEMBL3766598 0.92 S1PR1 (0.84) S1PR1SMN1; SMN2ALDH1A1RAB9AKDM4E
SCHEMBL3763969 0.88 S1PR1 (1.00) S1PR1SMN1; SMN2ALDH1A1RAB9AKDM4E
SCHEMBL2775237 0.88 S1PR1 (0.88) S1PR1SMN1; SMN2ALDH1A1RAB9AKDM4E
SCHEMBL2772770 0.86 S1PR1 (0.93) S1PR1SMN1; SMN2ALDH1A1RAB9AKDM4E
SCHEMBL2771674 0.82 S1PR1 (1.00) S1PR1SMN1; SMN2ALDH1A1RAB9AKDM4E
SCHEMBL2773198 0.82 S1PR1 (0.80) S1PR1SMN1; SMN2ALDH1A1RAB9AKDM4E
SCHEMBL3761536 0.81 S1PR1 (1.00) S1PR1SMN1; SMN2ALDH1A1RAB9AKDM4E
SCHEMBL3767265 0.80 S1PR1 (0.83) S1PR1SMN1; SMN2ALDH1A1RAB9AKDM4E
SCHEMBL2809563 0.80 S1PR1 (0.66) S1PR1

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 13 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
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

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 1480/4885ALDH1A1 263/4885
US-20130109676-A1 Oxadiazole Diaryl Compounds OXA1L, RO60, SSB S1PR1 174/4885SMN1; SMN2 1397/4885ALDH1A1 183/4885

“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.