SCHEMBL91011

SCHEMBL91011

O=C(O)c1cccc(-c2noc(-c3ccc([N+](=O)O)cc3)n2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.63
RAB9A P51151 8/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
MAOA P21397 1/20 0.57
BLVRB P30043 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
NR1H4 Q96RI1 4/20 0.54
CHRNB2 P17787 1/20 0.46
CHRNA5 P30532 1/20 0.46
CHRNA4 P43681 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
MAPT P10636 3/20 0.44
TP53 P04637 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43

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
SCHEMBL60154 0.89 NPC1 (0.62) NPC1RAB9AL3MBTL1MAOABLVRB
SCHEMBL59247 0.86 RAB9A (0.72) NPC1RAB9AL3MBTL1MAOABLVRB
SCHEMBL60427 0.86 NPC1 (0.76) NPC1RAB9AL3MBTL1MAOABLVRB
SCHEMBL19154215 0.85 NR1H4 (0.53) NPC1RAB9ANR1H4CHRNB2CHRNA5
SCHEMBL17336565 0.84 NPC1 (0.72) NPC1RAB9AL3MBTL1MAOABLVRB
SCHEMBL59426 0.83 NPC1 (0.67) NPC1RAB9AL3MBTL1MAOABLVRB
SCHEMBL60333 0.83 MAOA (0.68) NPC1RAB9AL3MBTL1MAOABLVRB
SCHEMBL5345798 0.83 NPC1 (0.80) NPC1RAB9AL3MBTL1MAOABLVRB
SCHEMBL60606 0.83 NPC1 (0.67) NPC1RAB9AL3MBTL1MAOABLVRB
SCHEMBL61063 0.81 NPC1 (0.69) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180092887-A1 COMPOSITIONS OF 1,2,4-OXADIAZOLE BENZOIC ACID COMPOUNDS AND METHODS FOR THEIR USE PTC THERAPEUTICS, INC. 2018-04-05 US disclosed
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 disclosed
US-8129540-B2 Methods for the synthesis of 1,2,4-oxadiazole benzoic acid compounds PTC THERAPEUTICS, INC. (US) 2012-03-06 US disclosed
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 disclosed
US-20100121070-A1 METHODS FOR THE SYNTHESIS OF 1,2,4-OXADIAZOLE BENZOIC ACID COMPOUNDS PTC THERAPEUTICS, INC. 2010-05-13 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 (3 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-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-20100121070-A1 METHODS FOR THE SYNTHESIS OF 1,2,4-OXADIAZOLE BENZOIC ACID COMPOUNDS UPF1, RIOX2, RNMT NPC1 1403/4885RAB9A 4299/4885L3MBTL1 236/4885
US-20180092887-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

“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.