SCHEMBL3756492

SCHEMBL3756492

COc1ccccc1-c1noc(-c2ccc(N3CCCCC3)cc2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 10/20 1.00
RAB9A P51151 5/20 0.66
SMN1; SMN2 Q16637 5/20 0.66
TP53 P04637 4/20 0.66
ALDH1A1 P00352 4/20 0.66
NPC1 O15118 4/20 0.66
L3MBTL1 Q9Y468 1/20 0.66
KDM4E B2RXH2 3/20 0.60
HSD17B10 Q99714 3/20 0.60
TSHR P16473 2/20 0.60
HPGD P15428 2/20 0.60
NPSR1 Q6W5P4 1/20 0.60
POLB P06746 2/20 0.59
MAPT P10636 2/20 0.59
CA2 P00918 1/20 0.58
CA9 Q16790 1/20 0.58
LMNA P02545 1/20 0.55
RXFP1 Q9HBX9 1/20 0.54

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
SCHEMBL2879741 0.86 S1PR1 (1.00) S1PR1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL3761007 0.83 S1PR1 (0.72) S1PR1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL14817157 0.83 S1PR1 (0.72) S1PR1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL14817158 0.82 S1PR1 (0.71) S1PR1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL12997634 0.81 S1PR1 (0.84) S1PR1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL28713547 0.80 S1PR1 (0.66) S1PR1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL16253994 0.80 S1PR1 (0.86) S1PR1TP53POLBMAPTRXFP1
SCHEMBL2791690 0.79 S1PR1 (1.00) S1PR1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL3761995 0.78 S1PR1 (1.00) S1PR1TP53POLBMAPTRXFP1
SCHEMBL12997623 0.78 S1PR1 (0.83) S1PR1RAB9ASMN1; SMN2TP53ALDH1A1

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 15 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
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 277/4885RAB9A 1744/4885SMN1; SMN2 1480/4885
US-20130109676-A1 Oxadiazole Diaryl Compounds OXA1L, RO60, SSB S1PR1 174/4885RAB9A 1833/4885SMN1; SMN2 1397/4885

“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.