SCHEMBL30540543

SCHEMBL30540543

O=C(O)c1cc(CNCC2CCC2)c2[nH]ccc2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 1/20 0.41
▸ TPO P07202 1/20 0.41
▸ CD38 P28907 2/20 0.40
▸ METTL3 Q86U44 5/20 0.37
▸ METTL14 Q9HCE5 5/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ ASPH Q12797 1/20 0.36
▸ RIOX2 Q8IUF8 1/20 0.36
▸ KDM8 Q8N371 1/20 0.36
▸ KDM5B Q9UGL1 2/20 0.34
▸ HCAR2 Q8TDS4 1/20 0.34
▸ KDM5A P29375 1/20 0.34
▸ HDAC6 Q9UBN7 2/20 0.34
▸ HDAC3 O15379 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ LDHA P00338 1/20 0.32
▸ LDHB P07195 1/20 0.32
▸ ESRRA P11474 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
SCHEMBL30540576 0.80 KAT2B (0.36) CD38METTL3LDHALDHB
SCHEMBL30540524 0.79 MPO (0.39) MPOTPOCD38METTL3METTL14
SCHEMBL30540502 0.79 MPO (0.38) MPOTPOCD38KDM4EKDM5B
SCHEMBL30540551 0.77 MEN1 (0.36) MPOTPOKDM4EASPHRIOX2
SCHEMBL30540682 0.77 HDAC6 (0.37) MPOTPOMETTL3METTL14KDM4E
SCHEMBL30540566 0.76 CD38 (0.35) CD38METTL3METTL14KDM4E
SCHEMBL30577619 0.76 CD38 (0.33) CD38
SCHEMBL30540594 0.75 CD38 (0.36) CD38KDM4E
SCHEMBL30540487 0.74 CD38 (0.36) CD38METTL3
SCHEMBL25349795 0.74 CD38 (0.34) CD38KDM4EKDM5BCYP2D6CYP2C9

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250163047-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BEIGENE, LTD. (KY) 2025-05-22 — — US disclosed
EP-4476219-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BeiGene, Ltd. (KY) 2024-12-18 — — EP disclosed
CN-118696043-A Heterocyclic compounds, compositions thereof and methods of treatment therewith 百济神州有限公司 2024-09-24 — — CN disclosed
WO-2023151636-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BEIGENE , LTD. (KY) 2023-08-17 — — WO disclosed
WO-2023151641-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BEIGENE , LTD. (KY) 2023-08-17 — — WO 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-20250163047-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH NFATC1, GZMB, IFNG MPO 19/4885TPO 1719/4885CD38 304/4885

“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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