SCHEMBL60654

SCHEMBL60654

O=C(O)c1cccc(-c2noc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.63
RAB9A P51151 2/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
HDAC6 Q9UBN7 2/20 0.60
MAOA P21397 1/20 0.60
BLVRB P30043 1/20 0.60
S1PR1 P21453 10/20 0.58
S1PR3 Q99500 1/20 0.58
NR1H4 Q96RI1 2/20 0.54
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
GAA P10253 1/20 0.54
HPGD P15428 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
HSD17B10 Q99714 1/20 0.54
HDAC4 P56524 1/20 0.53
HDAC1 Q13547 1/20 0.53
NPSR1 Q6W5P4 1/20 0.52
IP6K1 Q92551 1/20 0.51
IP6K3 Q96PC2 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
SCHEMBL15632595 0.92 NPC1 (0.67) NPC1RAB9AL3MBTL1HDAC6MAOA
SCHEMBL29607058 0.90 NPC1 (0.63) NPC1RAB9AL3MBTL1HDAC6MAOA
SCHEMBL60315 0.90 NPC1 (0.63) NPC1RAB9AL3MBTL1HDAC6MAOA
SCHEMBL4875678 0.87 NPC1 (0.63) NPC1RAB9AL3MBTL1HDAC6MAOA
SCHEMBL14150136 0.86 NPC1 (0.64) NPC1RAB9AL3MBTL1HDAC6MAOA
SCHEMBL23450566 0.84 S1PR1 (0.56) NPC1RAB9AHDAC6S1PR1S1PR3
SCHEMBL60427 0.83 NPC1 (0.76) NPC1RAB9AL3MBTL1HDAC6MAOA
SCHEMBL13417132 0.83 S1PR1 (0.75) NPC1RAB9AS1PR1S1PR3NR1H4
SCHEMBL4995489 0.83 MAOA (0.68) NPC1RAB9AL3MBTL1HDAC6MAOA
SCHEMBL2224875 0.81 HDAC6 (0.59) NPC1RAB9AL3MBTL1HDAC6MAOA

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
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-8163782-B2 1,2,4-oxadiazole benzoic acid compositions PTC THERAPEUTICS, INC. (US) 2012-04-24 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 NPC1 1568/4885RAB9A 3978/4885L3MBTL1 105/4885
US-20100168109-A1 PHARMACEUTICAL COMPOSITIONS OF 1,2,4-OXADIAZOLE BENZOIC ACID AND THEIR USE FOR THE TREATMENT OF DISEASE UPF1, RIOX2, PABPC1 NPC1 448/4885RAB9A 3576/4885L3MBTL1 320/4885
US-20140301978-A1 METHODS FOR USING 1,2,4-OXADIAZOLE BENZOIC ACID COMPOUNDS UPF1, RIOX2, RNMT NPC1 1406/4885RAB9A 4277/4885L3MBTL1 189/4885
US-20150148346-A1 COMPOSITIONS OF 1,2,4-OXADIAZOLE BENZOIC ACID COMPOUNDS AND METHODS FOR THEIR USE UPF1, RIOX2, RNMT NPC1 1473/4885RAB9A 4327/4885L3MBTL1 195/4885
US-20100216851-A1 1,2,4-OXADIAZOLE BENZOIC ACID COMPOSITIONS AND THEIR USE IN BIOASSAYS UPF1, RIOX2, RNGTT NPC1 1552/4885RAB9A 4250/4885L3MBTL1 78/4885
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 NPC1 2724/4885RAB9A 3812/4885L3MBTL1 52/4885
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.