SCHEMBL21801534

SCHEMBL21801534

CCc1c(-c2nnc(Nc3ccccc3)o2)[nH]c2ccc(Br)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCL2 P10415 5/20 0.44
▸ GSK3B P49841 5/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ PRNP P04156 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ PPARG P37231 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ NR2E3 Q9Y5X4 1/20 0.43
▸ NCOR2 Q9Y618 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 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
SCHEMBL21801468 0.90 QPCT (0.42) BCL2GSK3BRAB9APRNPCYP1A2
SCHEMBL21801464 0.87 BCL2 (0.47) BCL2GSK3BRAB9AKDM4EMEN1
SCHEMBL21801477 0.85 CDC7 (0.48) PRNPCYP1A2CYP2C9CYP2C19PPARG
SCHEMBL21801489 0.84 PRNP (0.40) RAB9APRNPCYP1A2CYP2C9CYP2C19
SCHEMBL21801456 0.78 CYP1A2 (0.46) PRNPCYP1A2CYP2C9CYP2C19PPARG
SCHEMBL21801481 0.77 NPC1 (0.49) GSK3BRAB9ACYP1A2CYP2C9CYP2C19
SCHEMBL21801558 0.77 CNR1 (0.43) BCL2GSK3BCA12CA1CA2
SCHEMBL24750117 0.76 GSK3B (0.45) GSK3BRAB9APRNPCYP1A2CYP2C9
SCHEMBL21801539 0.74 QPCT (0.47) GSK3BRAB9APRNPCYP1A2CYP2C9
SCHEMBL21801526 0.73 CDC7 (0.48) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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 BCL2 935/4885GSK3B 116/4885RAB9A 2969/4885

“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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