SCHEMBL21801468

SCHEMBL21801468

CCc1c(-c2nnc(Nc3ccc(F)cc3)o2)[nH]c2ccc(Br)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 1/20 0.42
▸ PRNP P04156 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ PPARG P37231 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ NR2E3 Q9Y5X4 1/20 0.39
▸ NCOR2 Q9Y618 1/20 0.39
▸ CXCR2 P25025 3/20 0.39
▸ BCL2 P10415 4/20 0.39
▸ TLR8 Q9NR97 2/20 0.35
▸ TLR7 Q9NYK1 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34

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
SCHEMBL21801534 0.90 BCL2 (0.44) PRNPCYP1A2CYP2C9CYP2C19PPARG
SCHEMBL21801558 0.88 CNR1 (0.43) QPCTBCL2FLT1KDRGSK3B
SCHEMBL21801473 0.78 NPC1 (0.46) QPCTNPSR1RAB9ANPC1ALDH1A1
SCHEMBL21801477 0.78 CDC7 (0.48) QPCTPRNPCYP1A2CYP2C9CYP2C19
SCHEMBL21801464 0.77 BCL2 (0.47) QPCTBCL2KDM4ERAB9ANPC1
SCHEMBL21801456 0.77 CYP1A2 (0.46) PRNPCYP1A2CYP2C9CYP2C19PPARG
SCHEMBL21801489 0.76 PRNP (0.40) QPCTPRNPCYP1A2CYP2C9CYP2C19
SCHEMBL21801490 0.74 QPCT (0.44) QPCTBCL2KDM4ERAB9ANPC1
SCHEMBL21801481 0.69 NPC1 (0.49) CYP1A2CYP2C9CYP2C19KDM4ERAB9A
SCHEMBL24750117 0.69 GSK3B (0.45) QPCTPRNPCYP1A2CYP2C9CYP2C19

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 QPCT 2631/4885PRNP 4333/4885CYP1A2 64/4885

“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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