SCHEMBL388737

SCHEMBL388737

O=C(O)c1cccc(-c2noc(-c3cccc(Cl)c3)n2)c1O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.65
RAB9A P51151 6/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
NR1H4 Q96RI1 2/20 0.53
MAPT P10636 4/20 0.50
TSHR P16473 3/20 0.50
TP53 P04637 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MITF O75030 1/20 0.50
PKM P14618 1/20 0.50
GRM5 P41594 1/20 0.50
HNF4A P41235 1/20 0.49
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
GLA P06280 1/20 0.48
ADORA2A P29274 1/20 0.48
ADORA1 P30542 1/20 0.48
PLCG2 P16885 1/20 0.46
MAOA P21397 2/20 0.45
MAOB P27338 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
SCHEMBL1708886 0.87 NPC1 (0.56) NPC1RAB9AL3MBTL1NR1H4MAPT
SCHEMBL388112 0.87 HNF4A (0.61) NPC1RAB9AL3MBTL1NR1H4MAPT
SCHEMBL15632591 0.86 NR1H4 (0.54) NPC1RAB9AL3MBTL1NR1H4MAPT
SCHEMBL388293 0.85 NR1H4 (0.59) NPC1RAB9AL3MBTL1NR1H4MAPT
SCHEMBL388407 0.85 TP53 (0.53) NPC1RAB9AL3MBTL1NR1H4MAPT
SCHEMBL387013 0.82 NPC1 (0.56) NPC1RAB9AL3MBTL1NR1H4MAPT
SCHEMBL388074 0.82 NPC1 (0.63) NPC1RAB9ANR1H4MAPTTSHR
SCHEMBL389929 0.81 NPC1 (0.71) NPC1RAB9AL3MBTL1NR1H4MAPT
SCHEMBL387971 0.81 TSHR (0.59) NPC1RAB9AL3MBTL1NR1H4MAPT
SCHEMBL384626 0.80 NPC1 (0.54) NPC1RAB9AL3MBTL1NR1H4MAPT

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 12 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 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
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 NPC1 2066/4885RAB9A 3624/4885L3MBTL1 118/4885
US-20120087896-A1 HYDROXYLATED 1,2,4-OXADIAZOLE BENZOIC ACID COMPOUNDS, COMPOSITIONS THEREOF AND THEIR USE IN BIOASSAYS UPF1, RIOX2, RNGTT NPC1 1977/4885RAB9A 4182/4885L3MBTL1 119/4885

“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.