SCHEMBL24750117

SCHEMBL24750117

CCc1c(-c2nnc(SCCc3ccccc3)o2)[nH]c2ccc(Br)cc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 1/20 0.45
▸ QPCT Q16769 2/20 0.45
▸ PRNP P04156 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ PPARG P37231 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ NR2E3 Q9Y5X4 1/20 0.41
▸ NCOR2 Q9Y618 1/20 0.41
▸ MAPT P10636 4/20 0.39
▸ TP53 P04637 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ LMNA P02545 2/20 0.39

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
SCHEMBL21801539 0.95 QPCT (0.47) GSK3BQPCTPRNPCYP1A2CYP2C9
SCHEMBL21801481 0.91 NPC1 (0.49) GSK3BCYP1A2CYP2C9CYP2C19MAPT
SCHEMBL21801488 0.88 CNR1 (0.46) GSK3BQPCTNPSR1MAPTTP53
SCHEMBL21801673 0.83 QPCT (0.47) GSK3BQPCTNPSR1MAPTTP53
SCHEMBL21801522 0.82 TDP1 (0.47) CYP1A2CYP2C9CYP2C19MAPTNPC1
SCHEMBL21801489 0.81 PRNP (0.40) QPCTPRNPCYP1A2CYP2C9CYP2C19
SCHEMBL21801473 0.81 NPC1 (0.46) GSK3BQPCTNPSR1NPC1RAB9A
SCHEMBL21801469 0.80 GSK3B (0.48) GSK3BCYP1A2CYP2C9CYP2C19MAPT
SCHEMBL21801466 0.79 MAPT (0.51) CYP1A2CYP2C9CYP2C19NPSR1MAPT
SCHEMBL21801477 0.79 CDC7 (0.48) 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 1 patent. 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

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 116/4885QPCT 2631/4885PRNP 4333/4885

“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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