SCHEMBL32688432

SCHEMBL32688432

CN(C)c1ccc(-c2ccc(-c3c(C#N)c(SCc4nnn[nH]4)[nH]c(=O)c3C#N)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 1/20 0.40
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ HSD11B1 P28845 12/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ CRHBP P24387 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ CRHR2 Q13324 1/20 0.34
▸ HSD11B2 P80365 1/20 0.33
▸ PDE9A O76083 4/20 0.33
▸ PDE1C Q14123 1/20 0.32
▸ IDO1 P14902 1/20 0.32

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
SCHEMBL32688034 0.89 PDE9A (0.43) ADORA1MEN1KMT2APDE9APDE1C
SCHEMBL32688166 0.88 HSD11B1 (0.41) ADORA1HSD11B1MEN1KMT2AHSD11B2
SCHEMBL32688008 0.88 MEN1 (0.42) ADORA1HSD11B1MEN1ALDH1A1KMT2A
SCHEMBL32688269 0.88 HSD11B1 (0.45) HSD11B1MEN1ALDH1A1CRHBPKMT2A
SCHEMBL32688160 0.87 HSD11B1 (0.36) ADORA1HSD11B1HSD11B2IDO1
SCHEMBL32688296 0.87 ACMSD (0.35) HSD11B1HSD11B2PDE9A
SCHEMBL32687990 0.86 ADORA1 (0.44) ADORA1MEN1ALDH1A1KMT2A
SCHEMBL32688201 0.86 HSD11B1 (0.36) HSD11B1HSD11B2PDE9AIDO1
SCHEMBL32688289 0.84 ADORA1 (0.40) ADORA1CA12CA1CA2CA9
SCHEMBL32688133 0.83 HSD11B1 (0.39) ADORA1HSD11B1HSD11B2PDE9AIDO1

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 ADORA1 1595/4885CA12 2559/4885CA1 1765/4885

“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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