SCHEMBL3758563

SCHEMBL3758563

COc1ccccc1-c1noc(-c2ccc(N3CCCC(F)(F)C3)c(N)c2)n1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 14/20 0.56
ALDH1A1 P00352 3/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
KDM4E B2RXH2 2/20 0.53
TSHR P16473 2/20 0.53
HSD17B10 Q99714 2/20 0.53
HPGD P15428 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
POLB P06746 1/20 0.51
MAPT P10636 1/20 0.51
TP53 P04637 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CA2 P00918 1/20 0.46
CA9 Q16790 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
SCHEMBL14905634 0.90 S1PR1 (0.60) S1PR1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL2770908 0.89 S1PR1 (0.65) S1PR1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL3761375 0.85 S1PR1 (0.79) S1PR1POLBMAPTTP53
SCHEMBL12997628 0.84 S1PR1 (0.53) S1PR1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL3762206 0.83 S1PR1 (0.79) S1PR1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL14905651 0.80 S1PR1 (0.62) S1PR1
SCHEMBL14817158 0.78 S1PR1 (0.71) S1PR1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL14817157 0.77 S1PR1 (0.72) S1PR1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL3761007 0.77 S1PR1 (0.72) S1PR1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL12997634 0.76 S1PR1 (0.84) S1PR1ALDH1A1NPC1RAB9ASMN1; SMN2

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 5 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-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-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 277/4885ALDH1A1 263/4885NPC1 4703/4885
US-20130109676-A1 Oxadiazole Diaryl Compounds OXA1L, RO60, SSB S1PR1 174/4885ALDH1A1 183/4885NPC1 4599/4885

“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.