SCHEMBL32688428

SCHEMBL32688428

N#Cc1c(SCc2nnn[nH]2)[nH]c(=O)c(C#N)c1-c1ccc(-c2cccc(C3CC3)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CXCR2 P25025 4/20 0.38
▸ HSD11B1 P28845 12/20 0.35
▸ CHRM5 P08912 1/20 0.34
▸ CX3CR1 P49238 1/20 0.34
▸ HSD11B2 P80365 1/20 0.34
▸ NOTUM Q6P988 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ RAPGEF4 Q8WZA2 2/20 0.33

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
SCHEMBL32687972 0.89 HSD11B1 (0.38) CXCR2HSD11B1CHRM5CX3CR1NOTUM
SCHEMBL32688295 0.88 CXCR2 (0.36) CXCR2HSD11B1CHRM5CX3CR1NOTUM
SCHEMBL32688173 0.87 HSD11B1 (0.38) CXCR2HSD11B1CHRM5CX3CR1HSD11B2
SCHEMBL32688008 0.86 MEN1 (0.42) CXCR2HSD11B1HSD11B2MEN1POLB
SCHEMBL32688370 0.85 POLB (0.41) CXCR2HSD11B1HSD11B2MEN1POLB
SCHEMBL32688136 0.85 HSD11B1 (0.41) CXCR2HSD11B1MEN1POLBKMT2A
SCHEMBL32688132 0.84 CXCR2 (0.36) CXCR2HSD11B1CHRM5CX3CR1NOTUM
SCHEMBL32688166 0.82 HSD11B1 (0.41) HSD11B1HSD11B2MEN1KMT2A
SCHEMBL32688269 0.82 HSD11B1 (0.45) CXCR2HSD11B1MEN1POLBKMT2A
SCHEMBL32688034 0.81 PDE9A (0.43) CXCR2MEN1POLBKMT2A

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 CXCR2 2082/4885HSD11B1 61/4885CHRM5 595/4885

“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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