SCHEMBL61076

SCHEMBL61076

C/C=C\c1nc(-c2cccc(C(=O)O)c2)no1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.55
NPC1 O15118 4/20 0.55
L3MBTL1 Q9Y468 3/20 0.55
MAOA P21397 1/20 0.53
BLVRB P30043 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
CASP3 P42574 5/20 0.52
SENP7 Q9BQF6 5/20 0.52
SENP8 Q96LD8 4/20 0.52
SENP6 Q9GZR1 4/20 0.52
NR1H4 Q96RI1 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
KMO O15229 2/20 0.44
CYP1A2 P05177 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C19 P33261 1/20 0.43
IP6K1 Q92551 1/20 0.41
IP6K3 Q96PC2 1/20 0.41
IP6K2 Q9UHH9 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
SCHEMBL66528 1.00 RAB9A (0.55) RAB9ANPC1L3MBTL1MAOABLVRB
SCHEMBL61077 1.00 RAB9A (0.55) RAB9ANPC1L3MBTL1MAOABLVRB
SCHEMBL12171510 0.83 NPC1 (0.50) RAB9ANPC1L3MBTL1CASP3SENP7
SCHEMBL20367973 0.83 CASP3 (0.48) RAB9ANPC1L3MBTL1CASP3SENP7
SCHEMBL30497107 0.79 L3MBTL1 (0.70) RAB9ANPC1L3MBTL1MAOABLVRB
SCHEMBL225165 0.79 L3MBTL1 (0.70) RAB9ANPC1L3MBTL1MAOABLVRB
SCHEMBL60427 0.77 NPC1 (0.76) RAB9ANPC1L3MBTL1MAOABLVRB
SCHEMBL25299060 0.75 NPC1 (0.58) RAB9ANPC1L3MBTL1MAOABLVRB
SCHEMBL60146 0.75 L3MBTL1 (0.58) RAB9ANPC1L3MBTL1MAOABLVRB
SCHEMBL31362818 0.75 NPC1 (0.58) RAB9ANPC1L3MBTL1MAOABLVRB

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 62 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8486982-B2 1,2,4-oxadiazole benzoic acids PTC THERAPEUTICS, INC. (US) 2013-07-16 US claimed
US-20120277234-A1 1,2,4-OXADIAZOLE BENZOIC ACIDS PTC THERAPEUTICS, INC. 2012-11-01 US claimed
US-8227494-B2 Pharmaceutical compositions of 1,2,4-oxadiazole benzoic acid and their use for the treatment of disease PTC THERAPEUTICS, INC. (US) 2012-07-24 US claimed
JP-4851933-B2 2012-01-11 JP claimed
EP-1618098-A4 1,2,4-OXADIAZOLE BENZOIC ACID COMPOUNDS AND THEIR USE FOR NONSENSE SUPPRESSION AND THE TREATMENT OF DISEASE PCT THERAPEUTICS INC (US) 2008-07-16 EP claimed
US-6992096-B2 translation of mRNA is allowed to continue past a nonsense mutation point, resulting in the production of a full length protein; genetic disorders; 3-(5-p-tolyl-[1,2,4]oxadiazol-3-yl)-benzoic acid PTC THERAPEUTICS, INC. (US) 2006-01-31 US claimed
EP-1618098-A2 1,2,4-OXADIAZOLE BENZOIC ACID COMPOUNDS AND THEIR USE FOR NONSENSE SUPPRESSION AND THE TREATMENT OF DISEASE PCT Therapeutics Inc. (US) 2006-01-25 EP claimed
WO-2004091502-A2 1,2,4-OXADIAZOLE BENZOIC ACID COMPOUNDS PTC THERAPEUTICS, INC. (US) 2004-10-28 WO claimed
US-20040204461-A1 translation of mRNA is allowed to continue past a nonsense mutation point, resulting in the production of a full length protein; genetic disorders; 3-(5-p-tolyl-[1,2,4]oxadiazol-3-yl)-benzoic acid PTC THERAPEUTICS, INC. 2004-10-14 US claimed
EP-4101846-B1 1,2,4-OXADIAZOLE BENZOIC ACID COMPOUNDS AND THEIR USE FOR NONSENSE SUPPRESSION AND THE TREATMENT OF DISEASE PTC THERAPEUTICS INC (US) 2023-08-02 EP disclosed
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-B1 1,2,4-OXADIAZOLE BENZOIC ACID COMPOUNDS AND THEIR USE FOR NONSENSE SUPPRESSION AND THE TREATMENT OF DISEASE PTC THERAPEUTICS INC (US) 2022-06-15 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
US-20060035943-A1 E.g., 3-(5-p-tolyl-[1,2,4]oxadiazol-3-yl)-benzoic acid; treating or preventing a disease ameliorated by modulation of premature translation termination or nonsense-mediated mRNA decay such as genetic disorders PTC THERAPEUTICS, INC. 2006-02-16 US disclosed
US-6992096-B2 translation of mRNA is allowed to continue past a nonsense mutation point, resulting in the production of a full length protein; genetic disorders; 3-(5-p-tolyl-[1,2,4]oxadiazol-3-yl)-benzoic acid PTC THERAPEUTICS, INC. (US) 2006-01-31 US disclosed
EP-1618098-A2 1,2,4-OXADIAZOLE BENZOIC ACID COMPOUNDS AND THEIR USE FOR NONSENSE SUPPRESSION AND THE TREATMENT OF DISEASE PCT Therapeutics Inc. (US) 2006-01-25 EP disclosed
US-20050164973-A1 E.g., 3-[5-(4-Fluoro-phenyl)-[1,2,4]oxadiazol-3-yl]-benzoic acid; treating diseases ameliorated by modulation of premature translation termination or nonsense-mediated mRNA decay PCT THERAPEUTICS, INC. 2005-07-28 US disclosed
WO-2004091502-A2 1,2,4-OXADIAZOLE BENZOIC ACID COMPOUNDS PTC THERAPEUTICS, INC. (US) 2004-10-28 WO disclosed
US-20040204461-A1 translation of mRNA is allowed to continue past a nonsense mutation point, resulting in the production of a full length protein; genetic disorders; 3-(5-p-tolyl-[1,2,4]oxadiazol-3-yl)-benzoic acid PTC THERAPEUTICS, INC. 2004-10-14 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 (4 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-20120277234-A1 1,2,4-OXADIAZOLE BENZOIC ACIDS UPF1, RIOX2, RPL35A RAB9A 3978/4885NPC1 1568/4885L3MBTL1 105/4885
US-20060035943-A1 E.g., 3-(5-p-tolyl-[1,2,4]oxadiazol-3-yl)-benzoic acid; treating or preventing a disease ameliorated by modulation of premature translation termination or nonsense-mediated mRNA decay such as genetic disorders UPF1, PABPC1, PABPC4 RAB9A 3420/4885NPC1 1558/4885L3MBTL1 42/4885
US-20050164973-A1 E.g., 3-[5-(4-Fluoro-phenyl)-[1,2,4]oxadiazol-3-yl]-benzoic acid; treating diseases ameliorated by modulation of premature translation termination or nonsense-mediated mRNA decay UPF1, PABPC1, PABPC4 RAB9A 2955/4885NPC1 908/4885L3MBTL1 107/4885
US-20040204461-A1 translation of mRNA is allowed to continue past a nonsense mutation point, resulting in the production of a full length protein; genetic disorders; 3-(5-p-tolyl-[1,2,4]oxadiazol-3-yl)-benzoic acid UPF1, PABPC1, PABPC4 RAB9A 3331/4885NPC1 2171/4885L3MBTL1 78/4885

“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.