SCHEMBL60580

SCHEMBL60580

O=C(O)c1cccc(-c2noc(-c3cccc(OC(F)(F)F)c3)n2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.63
NPC1 O15118 6/20 0.62
RAB9A P51151 6/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
S1PR1 P21453 1/20 0.60
MAOA P21397 1/20 0.57
BLVRB P30043 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
NR1H4 Q96RI1 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.51
TP53 P04637 1/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
CSNK2A2 P19784 1/20 0.48
CSNK2B P67870 1/20 0.48
DHODH Q02127 1/20 0.47
HAVCR2 Q8TDQ0 1/20 0.46
MEN1 O00255 1/20 0.45

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
SCHEMBL12171381 0.91 NPC1 (0.59) GRM5NPC1RAB9AL3MBTL1S1PR1
SCHEMBL1427471 0.84 NPC1 (0.73) GRM5NPC1RAB9AL3MBTL1MAOA
SCHEMBL59673 0.84 NPC1 (0.73) GRM5NPC1RAB9AL3MBTL1MAOA
SCHEMBL5515377 0.83 KMO (0.56) NPC1RAB9ACSNK2A2CSNK2BDHODH
SCHEMBL28243415 0.81 NR1H4 (0.66) GRM5NPC1RAB9AL3MBTL1S1PR1
SCHEMBL15632595 0.81 NPC1 (0.67) NPC1RAB9AL3MBTL1S1PR1MAOA
SCHEMBL19131017 0.81 NPC1 (0.57) NPC1RAB9AL3MBTL1S1PR1MAOA
SCHEMBL24505301 0.81 S1PR1 (0.60) GRM5NPC1RAB9AS1PR1NR1H4
SCHEMBL12171569 0.80 NPC1 (0.76) NPC1RAB9AL3MBTL1MAOABLVRB
SCHEMBL60427 0.80 NPC1 (0.76) 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 147 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
CN-104056278-A 1,2,4-oxadiazole benzoic acid compounds PTC THERAPEUTICS INC 2014-09-24 CN 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-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
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-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
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

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

For each of this compound's patents that has machine-readable text (7 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 GRM5 1632/4885NPC1 1568/4885RAB9A 3978/4885
US-20100168109-A1 PHARMACEUTICAL COMPOSITIONS OF 1,2,4-OXADIAZOLE BENZOIC ACID AND THEIR USE FOR THE TREATMENT OF DISEASE UPF1, RIOX2, PABPC1 GRM5 1330/4885NPC1 448/4885RAB9A 3576/4885
US-20140301978-A1 METHODS FOR USING 1,2,4-OXADIAZOLE BENZOIC ACID COMPOUNDS UPF1, RIOX2, RNMT GRM5 1312/4885NPC1 1406/4885RAB9A 4277/4885
US-20150148346-A1 COMPOSITIONS OF 1,2,4-OXADIAZOLE BENZOIC ACID COMPOUNDS AND METHODS FOR THEIR USE UPF1, RIOX2, RNMT GRM5 1623/4885NPC1 1473/4885RAB9A 4327/4885
US-20100216851-A1 1,2,4-OXADIAZOLE BENZOIC ACID COMPOSITIONS AND THEIR USE IN BIOASSAYS UPF1, RIOX2, RNGTT GRM5 1696/4885NPC1 1552/4885RAB9A 4250/4885
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 GRM5 2788/4885NPC1 2724/4885RAB9A 3812/4885
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 GRM5 2962/4885NPC1 2171/4885RAB9A 3331/4885

“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.