SCHEMBL6597824

SCHEMBL6597824

O=C1SCCN1c1cc2ccccc2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA3 P07451 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA13 Q8N1Q1 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CA5B Q9Y2D0 1/20 0.40
DAO P14920 2/20 0.39
BRD4 O60885 1/20 0.39
DDO Q99489 1/20 0.39
HRH4 Q9H3N8 4/20 0.38
HRH3 Q9Y5N1 2/20 0.38
CHEK1 O14757 1/20 0.37
KDR P35968 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL27889736 0.79 AOC3 (0.46) AOC3CA12CA1CA3CA4
SCHEMBL9462932 0.74 AOC3 (0.41) AOC3CA12CA1CA3CA4
SCHEMBL11667140 0.72 AOC3 (0.42) AOC3CA12CA1CA3CA4
SCHEMBL29866067 0.72 AOC3 (0.42) AOC3CA12CA1CA3CA4
SCHEMBL28670716 0.72 AOC3 (0.39) AOC3CA12CA1CA3CA4
SCHEMBL5331590 0.72 HRH4 (0.40) AOC3CA12CA1CA3CA4
SCHEMBL21047717 0.70 APAF1 (0.47) AOC3CA12CA1CA3CA4
SCHEMBL10947057 0.70 BRD4 (0.40) AOC3CA12CA1CA3CA4
SCHEMBL28840867 0.69 CA12 (0.46) AOC3CA12CA1CA3CA4
SCHEMBL30418698 0.69 NPC1 (0.51) AOC3CA12CA1CA3CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220257569-A1 INDOLE-OXADIAZOLE COMPOUNDS AND THEIR THERAPEUTIC USE THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2022-08-18 US disclosed
WO-2020051707-A1 INDOLE-OXADIAZOLE COMPOUNDS AND THEIR THERAPEUTIC USE THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2020-03-19 WO disclosed
EP-1183252-B1 PHARMACEUTICALLY ACTIVE COMPOUNDS ASTRAZENECA AB (SE) 2004-02-18 EP 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-20220257569-A1 INDOLE-OXADIAZOLE COMPOUNDS AND THEIR THERAPEUTIC USE CNR2, GPR119, CNR1 AOC3 1461/4885CA12 4152/4885CA1 4716/4885

“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.