SCHEMBL389093

SCHEMBL389093

O=C(O)c1ccc(O)c(-c2noc(-c3cc(F)cc(F)c3)n2)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.46
MAOA P21397 1/20 0.46
BLVRB P30043 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
GRM5 P41594 1/20 0.45
RARA P10276 4/20 0.42
RARB P10826 4/20 0.42
RARG P13631 4/20 0.42
S1PR1 P21453 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CASP3 P42574 2/20 0.40
SENP8 Q96LD8 2/20 0.40
SENP7 Q9BQF6 2/20 0.40
SENP6 Q9GZR1 2/20 0.40
CHUK O15111 1/20 0.40
TXNRD1 Q16881 1/20 0.40
NOX4 Q9NPH5 1/20 0.40

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
SCHEMBL384837 0.90 NR1H4 (0.52) NR1H4MAOABLVRBHDAC6RARA
SCHEMBL389806 0.89 NR1H4 (0.55) NR1H4MAOABLVRBHDAC6GRM5
SCHEMBL387937 0.85 NR1H4 (0.59) NR1H4MAOABLVRBHDAC6S1PR1
SCHEMBL388073 0.84 NR1H4 (0.54) NR1H4MAOABLVRBHDAC6RARA
SCHEMBL388121 0.84 S1PR1 (0.52) NR1H4S1PR1CHUKTXNRD1NOX4
SCHEMBL389684 0.83 NR1H4 (0.53) NR1H4MAOABLVRBHDAC6RARA
SCHEMBL388747 0.83 NR1H4 (0.60) NR1H4MAOABLVRBHDAC6S1PR1
SCHEMBL389932 0.82 MAOA (0.50) MAOABLVRBHDAC6RARARARB
SCHEMBL389070 0.82 RARA (0.51) MAOABLVRBHDAC6RARARARB
SCHEMBL388070 0.82 NR1H4 (0.52) NR1H4RARARARBRARGS1PR1

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8691511-B2 Hydroxylated 1,2,4-oxadiazole benzoic acid compounds, compositions thereof and their use in bioassays PTC THERAPEUTICS, INC. (US) 2014-04-08 US claimed
EP-2068871-B1 HYDROXYLATED 1,2,4-OXADIAZOLE BENZOIC ACID COMPOUNDS, COMPOSITIONS THEREOF AND THE USE FOR NONSENSE SUPPRESSION PTC THERAPEUTICS INC (US) 2013-12-25 EP claimed
US-8101641-B2 Such as 3-[5-(2-fluorophenyl)-[1,2,4]oxadiazol-3-yl]-2-hydroxybenzoic acid for modulating premature translation termination or nonsense-mediated mRNA decay in cells PTC THERAPEUTICS, INC. (US) 2012-01-24 US claimed
EP-2068871-A1 HYDROXYLATED 1,2,4-OXADIAZOLE BENZOIC ACID COMPOUNDS, COMPOSITIONS THEREOF AND THE USE FOR NONSENSE SUPPRESSION PTC Therapeutics, Inc. (US) 2009-06-17 EP claimed
WO-2008130370-A1 HYDROXYLATED 1,2,4-OXADIAZOLE BENZOIC ACID COMPOUNDS, COMPOSITIONS THEREOF AND THE USE FOR NONSENSE SUPPRESSION PTC THERAPEUTICS, INC. (US) 2008-10-30 WO claimed
US-20080139632-A1 Such as 3-[5-(2-fluorophenyl)-[1,2,4]oxadiazol-3-yl]-2-hydroxybenzoic acid for modulating premature translation termination or nonsense-mediated mRNA decay in cells PTC THERAPEUTICS, INC. 2008-06-12 US claimed
US-8691511-B2 Hydroxylated 1,2,4-oxadiazole benzoic acid compounds, compositions thereof and their use in bioassays PTC THERAPEUTICS, INC. (US) 2014-04-08 US disclosed
EP-2068871-B1 HYDROXYLATED 1,2,4-OXADIAZOLE BENZOIC ACID COMPOUNDS, COMPOSITIONS THEREOF AND THE USE FOR NONSENSE SUPPRESSION PTC THERAPEUTICS INC (US) 2013-12-25 EP disclosed
US-20120087896-A1 HYDROXYLATED 1,2,4-OXADIAZOLE BENZOIC ACID COMPOUNDS, COMPOSITIONS THEREOF AND THEIR USE IN BIOASSAYS PTC THERAPEUTICS, INC. 2012-04-12 US disclosed
US-20120087896-A1 HYDROXYLATED 1,2,4-OXADIAZOLE BENZOIC ACID COMPOUNDS, COMPOSITIONS THEREOF AND THEIR USE IN BIOASSAYS PTC THERAPEUTICS, INC. 2012-04-12 US disclosed
US-20120087896-A1 HYDROXYLATED 1,2,4-OXADIAZOLE BENZOIC ACID COMPOUNDS, COMPOSITIONS THEREOF AND THEIR USE IN BIOASSAYS PTC THERAPEUTICS, INC. 2012-04-12 US disclosed
US-8101641-B2 Such as 3-[5-(2-fluorophenyl)-[1,2,4]oxadiazol-3-yl]-2-hydroxybenzoic acid for modulating premature translation termination or nonsense-mediated mRNA decay in cells PTC THERAPEUTICS, INC. (US) 2012-01-24 US disclosed
US-8101641-B2 Such as 3-[5-(2-fluorophenyl)-[1,2,4]oxadiazol-3-yl]-2-hydroxybenzoic acid for modulating premature translation termination or nonsense-mediated mRNA decay in cells PTC THERAPEUTICS, INC. (US) 2012-01-24 US disclosed
US-8101641-B2 Such as 3-[5-(2-fluorophenyl)-[1,2,4]oxadiazol-3-yl]-2-hydroxybenzoic acid for modulating premature translation termination or nonsense-mediated mRNA decay in cells PTC THERAPEUTICS, INC. (US) 2012-01-24 US disclosed
EP-2068871-A1 HYDROXYLATED 1,2,4-OXADIAZOLE BENZOIC ACID COMPOUNDS, COMPOSITIONS THEREOF AND THE USE FOR NONSENSE SUPPRESSION PTC Therapeutics, Inc. (US) 2009-06-17 EP disclosed
WO-2008130370-A1 HYDROXYLATED 1,2,4-OXADIAZOLE BENZOIC ACID COMPOUNDS, COMPOSITIONS THEREOF AND THE USE FOR NONSENSE SUPPRESSION PTC THERAPEUTICS, INC. (US) 2008-10-30 WO disclosed
WO-2008130370-A1 HYDROXYLATED 1,2,4-OXADIAZOLE BENZOIC ACID COMPOUNDS, COMPOSITIONS THEREOF AND THE USE FOR NONSENSE SUPPRESSION PTC THERAPEUTICS, INC. (US) 2008-10-30 WO disclosed
US-20080139632-A1 Such as 3-[5-(2-fluorophenyl)-[1,2,4]oxadiazol-3-yl]-2-hydroxybenzoic acid for modulating premature translation termination or nonsense-mediated mRNA decay in cells PTC THERAPEUTICS, INC. 2008-06-12 US disclosed
US-20080139632-A1 Such as 3-[5-(2-fluorophenyl)-[1,2,4]oxadiazol-3-yl]-2-hydroxybenzoic acid for modulating premature translation termination or nonsense-mediated mRNA decay in cells PTC THERAPEUTICS, INC. 2008-06-12 US disclosed
US-20080139632-A1 Such as 3-[5-(2-fluorophenyl)-[1,2,4]oxadiazol-3-yl]-2-hydroxybenzoic acid for modulating premature translation termination or nonsense-mediated mRNA decay in cells PTC THERAPEUTICS, INC. 2008-06-12 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 (2 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-20080139632-A1 Such as 3-[5-(2-fluorophenyl)-[1,2,4]oxadiazol-3-yl]-2-hydroxybenzoic acid for modulating premature translation termination or nonsense-mediated mRNA decay in cells UPF1, RIOX2, RNMT NR1H4 2941/4885MAOA 2396/4885BLVRB 2036/4885
US-20120087896-A1 HYDROXYLATED 1,2,4-OXADIAZOLE BENZOIC ACID COMPOUNDS, COMPOSITIONS THEREOF AND THEIR USE IN BIOASSAYS UPF1, RIOX2, RNGTT NR1H4 1404/4885MAOA 1591/4885BLVRB 2143/4885

“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.