SCHEMBL32688075

SCHEMBL32688075

CC(=O)Nc1ccc(-c2ccc(-c3c(C#N)c(SCc4nnn[nH]4)[nH]c(=O)c3C#N)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 1/20 0.46
▸ ADORA2A P29274 1/20 0.46
▸ ADORA2B P29275 1/20 0.46
▸ LDHA P00338 5/20 0.39
▸ LDHB P07195 3/20 0.38
▸ POLB P06746 2/20 0.37
▸ BLM P54132 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ GAA P10253 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ CA12 O43570 3/20 0.35
▸ CA1 P00915 3/20 0.35
▸ CA2 P00918 3/20 0.35
▸ CA9 Q16790 3/20 0.35
▸ ADORA1 P30542 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ PGR P06401 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35

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
SCHEMBL32688238 0.86 PTPN1 (0.39) LDHALDHBCA12CA1CA2
SCHEMBL32688034 0.86 PDE9A (0.43) POLBADORA1HTTMEN1KMT2A
SCHEMBL32688249 0.85 MEN1 (0.40) ADORA3ADORA2AADORA2BPOLBALDH1A1
SCHEMBL32688269 0.85 HSD11B1 (0.45) LDHAPOLBBLMGAAALDH1A1
SCHEMBL32688008 0.85 MEN1 (0.42) ADORA3ADORA2AADORA2BPOLBALDH1A1
SCHEMBL32688166 0.85 HSD11B1 (0.41) ADORA2BADORA1MEN1KMT2AHSD11B1
SCHEMBL32688160 0.84 HSD11B1 (0.36) ADORA3ADORA2AADORA2BADORA1HSD11B1
SCHEMBL32688432 0.83 ADORA1 (0.40) ALDH1A1CA12CA1CA2CA9
SCHEMBL32687990 0.83 ADORA1 (0.44) ADORA3ADORA2AADORA2BGAAALDH1A1
SCHEMBL32688201 0.83 HSD11B1 (0.36) HSD11B1

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 ADORA3 1596/4885ADORA2A 1489/4885ADORA2B 829/4885

“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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