SCHEMBL18950853

SCHEMBL18950853

OCc1cccc(-c2noc(-c3ccc(N4CCCC4)nc3)n2)c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 7/20 0.54
S1PR3 Q99500 2/20 0.54
HDAC6 Q9UBN7 1/20 0.45
HRH3 Q9Y5N1 1/20 0.44
CNR2 P34972 2/20 0.43
CNR1 P21554 1/20 0.43
PIK3CA P42336 4/20 0.42
MTOR P42345 3/20 0.42
RXFP1 Q9HBX9 1/20 0.42
ALOX5AP P20292 1/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PIK3CD O00329 2/20 0.41
PIK3CG P48736 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL25907906 0.99 S1PR1 (0.53) S1PR1S1PR3HDAC6HRH3CNR2
SCHEMBL59273 0.83 NPC1 (0.55) S1PR1HDAC6CNR2CNR1RXFP1
SCHEMBL30517176 0.83 NPC1 (0.55) S1PR1HDAC6CNR2CNR1RXFP1
SCHEMBL60693 0.83 NPC1 (0.54) S1PR1HDAC6CNR2CNR1RXFP1
SCHEMBL60169 0.75 NPC1 (0.53) HDAC6CNR2PIK3CAMTORNPC1
SCHEMBL16675745 0.75 CNR2 (0.68) CNR2PIK3CAMTORPIK3CDPIK3CG
SCHEMBL30910011 0.74 TP53 (0.62) S1PR1S1PR3HDAC6NPC1RAB9A
SCHEMBL29215192 0.74 TP53 (0.62) S1PR1S1PR3HDAC6NPC1RAB9A
SCHEMBL20368108 0.72 S1PR1 (0.65) S1PR1S1PR3NPC1MAPTRAB9A
SCHEMBL24505297 0.72 S1PR1 (0.64) S1PR1S1PR3NPC1MAPTRAB9A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4101846-A1 1,2,4-OXADIAZOLE BENZOIC ACID COMPOUNDS AND THEIR USE FOR NONSENSE SUPPRESSION AND THE TREATMENT OF DISEASE PTC Therapeutics, Inc. (US) 2022-12-14 EP disclosed
EP-3889142-A1 1,2,4-OXADIAZOLE BENZOIC ACID COMPOUNDS AND THEIR USE FOR NONSENSE SUPPRESSION AND THE TREATMENT OF DISEASE PTC Therapeutics, Inc. (US) 2021-10-06 EP disclosed
EP-3632902-B1 1,2,4-OXADIAZOLE BENZOIC ACID COMPOUND AND ITS USE FOR NONSENSE SUPPRESSION AND THE TREATMENT OF DISEASE PTC THERAPEUTICS INC (US) 2021-07-14 EP disclosed
EP-3549936-B1 1,2,4-OXADIAZOLE BENZOIC ACID COMPOUND AND ITS USE FOR NONSENSE SUPPRESSION AND THE TREATMENT OF DISEASE PTC THERAPEUTICS INC (US) 2021-06-02 EP disclosed
EP-3549936-A1 1,2,4-OXADIAZOLE BENZOIC ACID COMPOUND AND ITS USE FOR NONSENSE SUPPRESSION AND THE TREATMENT OF DISEASE PTC Therapeutics, Inc. (US) 2019-10-09 EP disclosed
EP-3345895-A1 1,2,4-OXADIAZOLE BENZOIC ACID COMPOUND AND ITS USE FOR NONSENSE SUPPRESSION AND THE TREATMENT OF DISEASE PTC Therapeutics, Inc. (US) 2018-07-11 EP disclosed
EP-3178816-A1 1,2,4-OXADIAZOLE BENZOIC ACID COMPOUND AND ITS USE FOR NONSENSE SUPPRESSION AND THE TREATMENT OF DISEASE PTC Therapeutics, Inc. (US) 2017-06-14 EP disclosed