SCHEMBL32688133

SCHEMBL32688133

N#Cc1c(SCc2nnn[nH]2)[nH]c(=O)c(C#N)c1-c1ccc(-c2ncccn2)cc1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 16/20 0.39
▸ PDE9A O76083 1/20 0.39
▸ ADORA3 P0DMS8 2/20 0.36
▸ ADORA2A P29274 2/20 0.36
▸ ADORA2B P29275 2/20 0.36
▸ ADORA1 P30542 2/20 0.36
▸ HSD11B2 P80365 1/20 0.36
▸ IDO1 P14902 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
SCHEMBL32688008 0.89 MEN1 (0.42) HSD11B1PDE9AADORA3ADORA2AADORA2B
SCHEMBL32688201 0.87 HSD11B1 (0.36) HSD11B1PDE9AHSD11B2IDO1
SCHEMBL32688269 0.87 HSD11B1 (0.45) HSD11B1IDO1
SCHEMBL32688166 0.87 HSD11B1 (0.41) HSD11B1PDE9AADORA2BADORA1HSD11B2
SCHEMBL32688034 0.86 PDE9A (0.43) PDE9AADORA1
SCHEMBL32688160 0.86 HSD11B1 (0.36) HSD11B1ADORA3ADORA2AADORA2BADORA1
SCHEMBL32688414 0.85 DHODH (0.40) HSD11B1PDE9AADORA3ADORA2AADORA2B
SCHEMBL32688050 0.84 HSD11B1 (0.44) HSD11B1HSD11B2
SCHEMBL32688432 0.83 ADORA1 (0.40) HSD11B1PDE9AADORA1HSD11B2IDO1
SCHEMBL32688289 0.83 ADORA1 (0.40) HSD11B1ADORA1HSD11B2

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-20260078105-A1 Novel Aminocarboxymuconate Semialdehyde Decarboxylase Inhibitors ORSOBIO INC (US) 2026-03-19 — — 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-20260078105-A1 Novel Aminocarboxymuconate Semialdehyde Decarboxylase Inhibitors CPT1B, CBR1, MUSK HSD11B1 61/4885PDE9A 1443/4885ADORA3 1596/4885

“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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