SCHEMBL5345798

SCHEMBL5345798

O=C(O)c1cccc(-c2noc(-c3ccc(Cl)cc3)n2)c1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.80
RAB9A P51151 4/20 0.80
L3MBTL1 Q9Y468 2/20 0.80
MAOA P21397 2/20 0.61
BLVRB P30043 1/20 0.61
HDAC6 Q9UBN7 1/20 0.61
NR1H4 Q96RI1 3/20 0.57
ADORA2A P29274 1/20 0.52
ADORA1 P30542 1/20 0.52
RXRA P19793 1/20 0.51
RXRB P28702 1/20 0.51
MAPT P10636 2/20 0.51
TP53 P04637 1/20 0.51
CASP3 P42574 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
CTRC Q99895 1/20 0.50
MAP4K4 O95819 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49

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
SCHEMBL4876270 0.94 NPC1 (0.80) NPC1RAB9AL3MBTL1MAOABLVRB
SCHEMBL59247 0.90 RAB9A (0.72) NPC1RAB9AL3MBTL1MAOABLVRB
SCHEMBL60427 0.90 NPC1 (0.76) NPC1RAB9AL3MBTL1MAOABLVRB
SCHEMBL60626 0.89 NPC1 (1.00) NPC1RAB9AL3MBTL1MAOABLVRB
SCHEMBL17336565 0.87 NPC1 (0.72) NPC1RAB9AL3MBTL1MAOABLVRB
SCHEMBL60333 0.86 MAOA (0.68) NPC1RAB9AL3MBTL1MAOABLVRB
SCHEMBL60606 0.86 NPC1 (0.67) NPC1RAB9AL3MBTL1MAOABLVRB
SCHEMBL59426 0.86 NPC1 (0.67) NPC1RAB9AL3MBTL1MAOABLVRB
SCHEMBL59529 0.85 NPC1 (0.67) NPC1RAB9AL3MBTL1MAOABLVRB
SCHEMBL61063 0.84 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 disclosed
US-20060035943-A1 E.g., 3-(5-p-tolyl-[1,2,4]oxadiazol-3-yl)-benzoic acid; treating or preventing a disease ameliorated by modulation of premature translation termination or nonsense-mediated mRNA decay such as genetic disorders PTC THERAPEUTICS, INC. 2006-02-16 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 (1 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-20060035943-A1 E.g., 3-(5-p-tolyl-[1,2,4]oxadiazol-3-yl)-benzoic acid; treating or preventing a disease ameliorated by modulation of premature translation termination or nonsense-mediated mRNA decay such as genetic disorders UPF1, PABPC1, PABPC4 NPC1 1558/4885RAB9A 3420/4885L3MBTL1 42/4885

“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.