SCHEMBL60333

SCHEMBL60333

O=C(O)c1cccc(-c2noc(-c3ccc(F)cc3)n2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.68
BLVRB P30043 1/20 0.68
HDAC6 Q9UBN7 1/20 0.68
NPC1 O15118 6/20 0.67
RAB9A P51151 6/20 0.67
L3MBTL1 Q9Y468 1/20 0.67
TP53 P04637 2/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
NR1H4 Q96RI1 4/20 0.57
PSMD11 O00231 1/20 0.52
TPH1 P17752 2/20 0.52
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
ATM Q13315 1/20 0.48
ADCY8 P40145 1/20 0.47
ADCY1 Q08828 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47

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
SCHEMBL4875653 0.94 NPC1 (0.67) MAOABLVRBHDAC6NPC1RAB9A
SCHEMBL59247 0.90 RAB9A (0.72) MAOABLVRBHDAC6NPC1RAB9A
SCHEMBL60427 0.90 NPC1 (0.76) MAOABLVRBHDAC6NPC1RAB9A
SCHEMBL60640 0.89 NPC1 (0.71) MAOABLVRBHDAC6NPC1RAB9A
SCHEMBL4995489 0.89 MAOA (0.68) MAOABLVRBHDAC6NPC1RAB9A
SCHEMBL12171924 0.89 NPC1 (0.71) MAOABLVRBHDAC6NPC1RAB9A
SCHEMBL17336565 0.87 NPC1 (0.72) MAOABLVRBHDAC6NPC1RAB9A
SCHEMBL60051 0.86 NPC1 (0.72) MAOABLVRBHDAC6NPC1RAB9A
SCHEMBL59426 0.86 NPC1 (0.67) MAOABLVRBHDAC6NPC1RAB9A
SCHEMBL60606 0.86 NPC1 (0.67) MAOABLVRBHDAC6NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9205088-B2 Compositions of 1,2,4-oxadiazol benzoic acid compounds and methods for their use PTC THERAPEUTICS, INC. (US) 2015-12-08 US claimed
US-20150148346-A1 COMPOSITIONS OF 1,2,4-OXADIAZOLE BENZOIC ACID COMPOUNDS AND METHODS FOR THEIR USE PTC THERAPEUTICS INC. (US) 2015-05-28 US claimed
US-8975287-B2 Methods for using 1,2,4-Oxadiazole benzoic acid compounds PTC THERAPEUTICS, INC. (US) 2015-03-10 US claimed
EP-1618098-B1 1,2,4-OXADIAZOLE BENZOIC ACID COMPOUNDS AND THEIR USE FOR NONSENSE SUPPRESSION AND THE TREATMENT OF DISEASE PTC THERAPEUTICS INC (US) 2014-11-19 EP claimed
US-20140301978-A1 METHODS FOR USING 1,2,4-OXADIAZOLE BENZOIC ACID COMPOUNDS PTC THERAPEUTICS INC. (US) 2014-10-09 US claimed
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-8299105-B2 1,2,4-oxadiazole benzoic acid compositions and their use in bioassays PTC THERAPEUTICS, INC. (US) 2012-10-30 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
US-20120178080-A1 1,2,4-OXADIAZOLE BENZOIC ACID COMPOSITIONS AND THEIR USE IN BIOASSAYS PTC THERAPEUTICS, INC. 2012-07-12 US claimed
US-8017636-B2 1,2,4-Oxadiazole benzoic acid compositions and their use in bioassays PTC THERAPEUTICS, INC. (US) 2011-09-13 US claimed
US-20100216851-A1 1,2,4-OXADIAZOLE BENZOIC ACID COMPOSITIONS AND THEIR USE IN BIOASSAYS PTC THERAPEUTICS, INC. 2010-08-26 US claimed
US-20100168109-A1 PHARMACEUTICAL COMPOSITIONS OF 1,2,4-OXADIAZOLE BENZOIC ACID AND THEIR USE FOR THE TREATMENT OF DISEASE PTC THERAPEUTICS, INC. 2010-07-01 US claimed
US-7683082-B2 3-(5-p-tolyl-[1,2,4]oxadiazol-3-yl)-benzoic acid; translation of mRNA is allowed to continue past a nonsense mutation point, resulting in full length protein; genetic disorders; testing whether a compound increases activity of a protein encoded by an mRNA that contains a premature stop codon PTC THERAPEUTICS, INC. (US) 2010-03-23 US claimed
US-20070161687-A1 3-(5-p-tolyl-[1,2,4]oxadiazol-3-yl)-benzoic acid; translation of mRNA is allowed to continue past a nonsense mutation point, resulting in full length protein; genetic disorders; testing whether a compound increases activity of a protein encoded by an mRNA that contains a premature stop codon PTC THERAPEUTICS, INC. 2007-07-12 US claimed
US-7202262-B2 E.g., 3-(5-p-tolyl-[1,2,4]oxadiazol-3-yl)-benzoic acid; translation of mRNA is allowed to continue past a nonsense mutation point, resulting in the production of a full length protein; genetic disorders PTC THERAPEUTICS, INC. (US) 2007-04-10 US claimed
CN-1802360-A 1,2, 4-oxadiazole benzoic acid compounds PTC THERAPEUTICS INC (US) 2006-07-12 CN 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
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 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 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 MAOA 3038/4885BLVRB 3244/4885HDAC6 479/4885
US-20100168109-A1 PHARMACEUTICAL COMPOSITIONS OF 1,2,4-OXADIAZOLE BENZOIC ACID AND THEIR USE FOR THE TREATMENT OF DISEASE UPF1, RIOX2, PABPC1 MAOA 2899/4885BLVRB 3556/4885HDAC6 302/4885
US-20140301978-A1 METHODS FOR USING 1,2,4-OXADIAZOLE BENZOIC ACID COMPOUNDS UPF1, RIOX2, RNMT MAOA 2113/4885BLVRB 2503/4885HDAC6 331/4885
US-20150148346-A1 COMPOSITIONS OF 1,2,4-OXADIAZOLE BENZOIC ACID COMPOUNDS AND METHODS FOR THEIR USE UPF1, RIOX2, RNMT MAOA 2168/4885BLVRB 2958/4885HDAC6 346/4885
US-20100216851-A1 1,2,4-OXADIAZOLE BENZOIC ACID COMPOSITIONS AND THEIR USE IN BIOASSAYS UPF1, RIOX2, RNGTT MAOA 2457/4885BLVRB 2869/4885HDAC6 897/4885
US-20070161687-A1 3-(5-p-tolyl-[1,2,4]oxadiazol-3-yl)-benzoic acid; translation of mRNA is allowed to continue past a nonsense mutation point, resulting in full length protein; genetic disorders; testing whether a compound increases activity of a protein encoded by an mRNA that contains a premature stop codon UPF1, PABPC4, PABPC1 MAOA 3625/4885BLVRB 2775/4885HDAC6 2378/4885
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 MAOA 2579/4885BLVRB 2649/4885HDAC6 659/4885
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 MAOA 3758/4885BLVRB 3084/4885HDAC6 1524/4885

“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.