Sugi Predict

Sugi Predict / Compounds / SCHEMBL59495

SCHEMBL59495

SCHEMBL59495

COC(=O)c1cccc(-c2noc(-c3ccccc3F)n2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 14/20 1.00
▸ RAB9A P51151 13/20 1.00
▸ MAOA P21397 1/20 0.74
▸ BLVRB P30043 1/20 0.74
▸ HDAC6 Q9UBN7 1/20 0.74
▸ SMN1; SMN2 Q16637 6/20 0.59
▸ KMT2A Q03164 6/20 0.59
▸ MEN1 O00255 5/20 0.59
▸ NFKB1 P19838 4/20 0.59
▸ NFKB2 Q00653 4/20 0.59
▸ RELA Q04206 4/20 0.59
▸ L3MBTL1 Q9Y468 2/20 0.59
▸ MAPK1 P28482 2/20 0.59
▸ PKM P14618 2/20 0.59
▸ MAPT P10636 3/20 0.57
▸ TP53 P04637 2/20 0.57
▸ ALDH1A1 P00352 4/20 0.53
▸ HPGD P15428 4/20 0.53
▸ HSD17B10 Q99714 3/20 0.53
▸ KDM4E B2RXH2 3/20 0.53

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
SCHEMBL30008519 1.00 NPC1 (1.00) NPC1RAB9AMAOABLVRBHDAC6
SCHEMBL1505301 0.91 NPC1 (0.83) NPC1RAB9AMAOABLVRBHDAC6
SCHEMBL31660436 0.87 NPC1 (0.78) NPC1RAB9AMAOABLVRBHDAC6
SCHEMBL26092403 0.87 NPC1 (0.78) NPC1RAB9AMAOABLVRBHDAC6
SCHEMBL28611033 0.87 NPC1 (0.78) NPC1RAB9AMAOABLVRBHDAC6
SCHEMBL12171216 0.87 NPC1 (0.78) NPC1RAB9AMAOABLVRBHDAC6
SCHEMBL29607696 0.87 NPC1 (0.77) NPC1RAB9AMAOABLVRBHDAC6
SCHEMBL60513 0.87 NPC1 (0.77) NPC1RAB9AMAOABLVRBHDAC6
SCHEMBL17946207 0.86 MAOA (0.79) NPC1RAB9AMAOABLVRBHDAC6
Ataluren SCHEMBL60614 0.85 MAOA (1.00) NPC1RAB9AMAOABLVRBHDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114920667-B Electrochemical preparation method of atta Lu Lunzhi 湖南大学 2024-06-21 — — CN claimed
CN-114920667-A Electrochemical preparation method of astraglucol 湖南大学 2022-08-19 — — CN claimed
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-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-20100121070-A1 METHODS FOR THE SYNTHESIS OF 1,2,4-OXADIAZOLE BENZOIC ACID COMPOUNDS PTC THERAPEUTICS, INC. 2010-05-13 — — 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 3978/4885MAOA 3038/4885
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 3576/4885MAOA 2899/4885
US-20100121070-A1 METHODS FOR THE SYNTHESIS OF 1,2,4-OXADIAZOLE BENZOIC ACID COMPOUNDS UPF1, RIOX2, RNMT NPC1 1403/4885RAB9A 4299/4885MAOA 1936/4885
US-20140301978-A1 METHODS FOR USING 1,2,4-OXADIAZOLE BENZOIC ACID COMPOUNDS UPF1, RIOX2, RNMT NPC1 1406/4885RAB9A 4277/4885MAOA 2113/4885
US-20150148346-A1 COMPOSITIONS OF 1,2,4-OXADIAZOLE BENZOIC ACID COMPOUNDS AND METHODS FOR THEIR USE UPF1, RIOX2, RNMT NPC1 1473/4885RAB9A 4327/4885MAOA 2168/4885
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 3812/4885MAOA 3625/4885
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 3331/4885MAOA 3758/4885

“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.