SCHEMBL21801469

SCHEMBL21801469

CCc1c(-c2nnc(SCc3ccc(OC)cc3)o2)[nH]c2ccc(Br)cc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 4/20 0.48
▸ GSK3A P49840 3/20 0.48
▸ HTT P42858 3/20 0.46
▸ TSHR P16473 2/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ AURKA O14965 1/20 0.46
▸ CSNK1E P49674 1/20 0.46
▸ PIK3CD O00329 1/20 0.45
▸ EGFR P00533 1/20 0.44
▸ MAPT P10636 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ LMNA P02545 2/20 0.42

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
SCHEMBL21801522 0.89 TDP1 (0.47) TDP1EGFRMAPTSMN1; SMN2NPC1
SCHEMBL21801554 0.89 MAPT (0.52) GSK3BGSK3AHTTTSHRMAPK1
SCHEMBL21801473 0.89 NPC1 (0.46) GSK3BGSK3AHTTTSHRMAPK1
SCHEMBL21801481 0.88 NPC1 (0.49) GSK3BGSK3AHTTMAPK1TDP1
SCHEMBL24750117 0.80 GSK3B (0.45) GSK3BMAPK1TDP1MAPTMEN1
SCHEMBL21801494 0.78 MAPT (0.48) HTTMAPK1TDP1EGFRMAPT
SCHEMBL21801539 0.77 QPCT (0.47) GSK3BMAPK1TDP1MAPTMEN1
SCHEMBL21801678 0.77 MAPT (0.54) GSK3BGSK3AHTTTSHRMAPK1
SCHEMBL21801466 0.77 MAPT (0.51) MAPK1TDP1EGFRMAPTMEN1
SCHEMBL24750432 0.76 NPC1 (0.51) GSK3BGSK3AHTTTSHRMAPK1

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-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

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 GSK3B 116/4885GSK3A 185/4885HTT 3755/4885

“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.

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