SCHEMBL61063

SCHEMBL61063

O=C(O)c1cccc(-c2noc(-c3ccncc3)n2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.69
RAB9A P51151 10/20 0.69
L3MBTL1 Q9Y468 1/20 0.69
SMN1; SMN2 Q16637 4/20 0.65
MAOA P21397 1/20 0.62
BLVRB P30043 1/20 0.62
HDAC6 Q9UBN7 1/20 0.62
MAPT P10636 3/20 0.61
NFKB1 P19838 1/20 0.61
NFKB2 Q00653 1/20 0.61
RELA Q04206 1/20 0.61
HSD17B10 Q99714 1/20 0.61
NR1H4 Q96RI1 2/20 0.59
TP53 P04637 2/20 0.56
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
ALDH1A1 P00352 2/20 0.51
TSHR P16473 1/20 0.51

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
SCHEMBL60427 0.91 NPC1 (0.76) NPC1RAB9AL3MBTL1SMN1; SMN2MAOA
SCHEMBL17336565 0.88 NPC1 (0.72) NPC1RAB9AL3MBTL1SMN1; SMN2MAOA
SCHEMBL59247 0.88 RAB9A (0.72) NPC1RAB9AL3MBTL1SMN1; SMN2MAOA
SCHEMBL60783 0.86 SMN1; SMN2 (0.67) NPC1RAB9AL3MBTL1SMN1; SMN2MAOA
SCHEMBL12171569 0.85 NPC1 (0.76) NPC1RAB9AL3MBTL1SMN1; SMN2MAOA
SCHEMBL60333 0.84 MAOA (0.68) NPC1RAB9AL3MBTL1SMN1; SMN2MAOA
SCHEMBL5345798 0.84 NPC1 (0.80) NPC1RAB9AL3MBTL1SMN1; SMN2MAOA
SCHEMBL60606 0.84 NPC1 (0.67) NPC1RAB9AL3MBTL1SMN1; SMN2MAOA
SCHEMBL59426 0.84 NPC1 (0.67) NPC1RAB9AL3MBTL1SMN1; SMN2MAOA
SCHEMBL29607058 0.84 NPC1 (0.63) NPC1RAB9AL3MBTL1MAOABLVRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-7304080-B2 E.g., 3-[5-(2-Chloro-pyridin-3-yl)-[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. (US) 2007-12-04 US claimed
US-20060148863-A1 E.g., 3-[5-(2-Chloro-pyridin-3-yl)-[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. 2006-07-06 US claimed
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 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-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-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-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
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-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 NPC1 1558/4885RAB9A 3420/4885L3MBTL1 42/4885
US-20060148863-A1 E.g., 3-[5-(2-Chloro-pyridin-3-yl)-[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 NPC1 1640/4885RAB9A 3613/4885L3MBTL1 49/4885
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 NPC1 908/4885RAB9A 2955/4885L3MBTL1 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 NPC1 2171/4885RAB9A 3331/4885L3MBTL1 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.