SCHEMBL32688292

SCHEMBL32688292

COc1ccc(-c2cccc(-c3c(C#N)c(SCc4nnn[nH]4)[nH]c(=O)c3C#N)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.42
▸ KDM4E B2RXH2 3/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ CXCR2 P25025 1/20 0.41
▸ ADORA1 P30542 4/20 0.41
▸ ADORA3 P0DMS8 2/20 0.41
▸ ADORA2A P29274 2/20 0.41
▸ ADORA2B P29275 2/20 0.41
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HTT P42858 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ EGFR P00533 1/20 0.37
▸ MAPT P10636 2/20 0.37
▸ GLA P06280 1/20 0.37
▸ PIM1 P11309 1/20 0.36

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
SCHEMBL32687990 0.93 ADORA1 (0.44) HPGDKDM4EALDH1A1CXCR2ADORA1
SCHEMBL32688370 0.90 POLB (0.41) HPGDALDH1A1CXCR2MEN1KMT2A
SCHEMBL32688136 0.89 HSD11B1 (0.41) KDM4EALDH1A1CXCR2MEN1KMT2A
SCHEMBL32688115 0.87 HPGD (0.41) HPGDKDM4EALDH1A1CXCR2ADORA1
SCHEMBL32688405 0.86 MEN1 (0.41) HPGDKDM4EALDH1A1CXCR2ADORA1
SCHEMBL32688008 0.85 MEN1 (0.42) HPGDALDH1A1CXCR2ADORA1ADORA3
SCHEMBL32688401 0.84 POLB (0.37) HPGDKDM4EALDH1A1CXCR2MEN1
SCHEMBL32688180 0.83 POLB (0.49) HPGDALDH1A1ADORA1ADORA3ADORA2A
SCHEMBL32688035 0.83 MEN1 (0.41) CXCR2MEN1KMT2A
SCHEMBL32688034 0.82 PDE9A (0.43) KDM4ECXCR2ADORA1MEN1KMT2A

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 HPGD 431/4885KDM4E 3207/4885ALDH1A1 290/4885

“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.

Send feedback