SCHEMBL25003422

SCHEMBL25003422

CCCNNC(=O)c1ccc(CNC(=O)c2cc3cnccc3s2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 18/20 1.00
HDAC2 Q92769 18/20 1.00
HDAC3 O15379 17/20 1.00
NCOR2 Q9Y618 7/20 1.00
NAMPT P43490 3/20 0.64

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
SCHEMBL30180461 0.85 HDAC2 (1.00) HDAC1HDAC2HDAC3NCOR2
SCHEMBL25003417 0.85 HDAC2 (1.00) HDAC1HDAC2HDAC3NCOR2
SCHEMBL28961535 0.81 HDAC3 (1.00) HDAC1HDAC2HDAC3NCOR2NAMPT
SCHEMBL28918520 0.81 HDAC3 (1.00) HDAC1HDAC2HDAC3NCOR2NAMPT
SCHEMBL25003415 0.79 HDAC3 (1.00) HDAC1HDAC2HDAC3NCOR2NAMPT
SCHEMBL28918339 0.78 HDAC3 (1.00) HDAC1HDAC2HDAC3NCOR2NAMPT
SCHEMBL28970468 0.78 HDAC3 (0.85) HDAC1HDAC2HDAC3NCOR2
SCHEMBL25003420 0.78 HDAC1 (1.00) HDAC1HDAC2HDAC3NCOR2NAMPT
SCHEMBL25002622 0.76 HDAC1 (1.00) HDAC1HDAC2HDAC3NCOR2NAMPT
SCHEMBL30180440 0.76 HDAC1 (1.00) HDAC1HDAC2HDAC3NCOR2NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115703736-A Multi-target inhibitors targeting HDAC and NAD synthesis and uses thereof 中国海洋大学 2023-02-17 CN claimed
CN-115703736-B Multi-target inhibitor targeting HDAC and NAD synthesis and application thereof 中国海洋大学 2025-05-16 CN disclosed
US-20240327418-A1 MULTI-TARGET INHIBITOR TARGETING HDAC AND NAD SYNTHESIS AND USE OF MULTI-TARGET INHIBITOR OCEAN UNIVERSITY OF CHINA (CN) 2024-10-03 US disclosed
WO-2023011416-A1 MULTI-TARGET INHIBITOR TARGETING HDAC AND NAD SYNTHESIS AND USE OF MULTI-TARGET INHIBITOR 中国海洋大学 2023-02-09 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-20240327418-A1 MULTI-TARGET INHIBITOR TARGETING HDAC AND NAD SYNTHESIS AND USE OF MULTI-TARGET INHIBITOR HDAC3, HDAC1, HDAC11 HDAC1 2/4885HDAC2 4/4885HDAC3 1/4885

“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.