SCHEMBL21801489

SCHEMBL21801489

CCc1c(-c2nnc(NCCc3ccccc3)o2)[nH]c2ccc(Br)cc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRNP P04156 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ PPARG P37231 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ NR2E3 Q9Y5X4 1/20 0.40
▸ NCOR2 Q9Y618 1/20 0.40
▸ CDK2 P24941 5/20 0.40
▸ CDC7 O00311 4/20 0.40
▸ CCNE1 P24864 4/20 0.40
▸ DBF4 Q9UBU7 4/20 0.40
▸ EGFR P00533 1/20 0.40
▸ CCNC P24863 1/20 0.40
▸ CDK8 P49336 1/20 0.40
▸ ELANE P08246 1/20 0.39
▸ CNR1 P21554 1/20 0.39
▸ TUBB4A P04350 1/20 0.38

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
SCHEMBL21801477 0.90 CDC7 (0.48) PRNPCYP1A2CYP2C9CYP2C19PPARG
SCHEMBL21801557 0.88 CNR1 (0.52) CDK2EGFRCNR1
SCHEMBL21801534 0.84 BCL2 (0.44) PRNPCYP1A2CYP2C9CYP2C19PPARG
SCHEMBL24750117 0.81 GSK3B (0.45) PRNPCYP1A2CYP2C9CYP2C19PPARG
SCHEMBL21801539 0.79 QPCT (0.47) PRNPCYP1A2CYP2C9CYP2C19PPARG
SCHEMBL21801526 0.78 CDC7 (0.48) CDK2CDC7CCNE1DBF4ELANE
SCHEMBL21801481 0.78 NPC1 (0.49) CYP1A2CYP2C9CYP2C19EGFRTP53
SCHEMBL21801555 0.77 PTGS2 (0.49) CDK2CDC7CCNE1DBF4EGFR
SCHEMBL21801468 0.76 QPCT (0.42) PRNPCYP1A2CYP2C9CYP2C19PPARG
SCHEMBL21801456 0.75 CYP1A2 (0.46) PRNPCYP1A2CYP2C9CYP2C19PPARG

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 PRNP 4333/4885CYP1A2 64/4885CYP2C9 455/4885

“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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