SCHEMBL25748809

SCHEMBL25748809

CC(C)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CCCCCN1C(=O)CC(C(C)C)C1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 5/20 0.41
HDAC1 Q13547 4/20 0.41
HDAC4 P56524 3/20 0.41
HDAC7 Q8WUI4 3/20 0.41
HDAC2 Q92769 3/20 0.41
HDAC10 Q969S8 3/20 0.41
HDAC3 O15379 2/20 0.41
HDAC11 Q96DB2 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC9 Q9UKV0 2/20 0.41
HDAC5 Q9UQL6 2/20 0.41
HPGD P15428 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 1/20 0.40
ALDH1A1 P00352 2/20 0.37
EPHX2 P34913 4/20 0.36
KAT2A Q92830 1/20 0.33
KAT2B Q92831 1/20 0.33
FOLH1 Q04609 1/20 0.33
HTR1A P08908 1/20 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
SCHEMBL25748806 1.00 HDAC6 (0.41) HDAC6HDAC1HDAC4HDAC7HDAC2
SCHEMBL25100482 0.89 SMN1; SMN2 (0.41) HDAC6HDAC1HDAC4HDAC7HDAC2
SCHEMBL25964475 0.88 SMN1; SMN2 (0.44) HDAC6HDAC1HDAC4HDAC7HDAC2
SCHEMBL20169738 0.85 HDAC3 (0.36) HDAC6HDAC1HDAC4HDAC7HDAC2
SCHEMBL22064399 0.85 HDAC3 (0.36) HDAC6HDAC1HDAC4HDAC7HDAC2
SCHEMBL23680206 0.85 SMN1; SMN2 (0.43) HDAC6HDAC1HDAC4HDAC7HDAC2
SCHEMBL25869906 0.85 HDAC1 (0.40) HDAC6HDAC1HDAC4HDAC7HDAC2
SCHEMBL25748810 0.84 OPRL1 (0.41) HDAC6HDAC1HDAC4HDAC7HDAC2
SCHEMBL27442287 0.83 HDAC3 (0.34) HDAC6HDAC1HDAC4HDAC7HDAC2
SCHEMBL18389703 0.83 HDAC3 (0.40) HDAC6HDAC1HDAC4HDAC7HDAC2

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
WO-2024141575-A1 ANTIBODY-DRUG CONJUGATES TARGETING UPARAP COMPRISING EXATECAN DERIVATIVES ADCENDO APS (DK) 2024-07-04 WO disclosed
US-20230331738-A1 ANTI-TUMOR COMPOUND AND PREPARATION METHOD AND USE THEREOF DUALITY BIOLOGICS (SUZHOU) CO., LTD. (CN) 2023-10-19 US disclosed
US-20230212182-A1 ANTI-TUMOR COMPOUND AND PREPARATION METHOD AND USE THEREOF DUALITY BIOLOGICS (SUZHOU) CO., LTD. (CN) 2023-07-06 US disclosed
US-11685742-B2 Anti-tumor compound and preparation method and use thereof DUALITY BIOLOGICS (SUZHOU) CO., LTD. (CN) 2023-06-27 US disclosed
US-11685742-B2 Anti-tumor compound and preparation method and use thereof DUALITY BIOLOGICS (SUZHOU) CO., LTD. (CN) 2023-06-27 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 (3 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-20230212182-A1 ANTI-TUMOR COMPOUND AND PREPARATION METHOD AND USE THEREOF RCC2, REN, VHL HDAC6 1861/4885HDAC1 2112/4885HDAC4 2463/4885
US-20230331738-A1 ANTI-TUMOR COMPOUND AND PREPARATION METHOD AND USE THEREOF RCC2, REN, VHL HDAC6 1861/4885HDAC1 2112/4885HDAC4 2463/4885
US-11685742-B2 Anti-tumor compound and preparation method and use thereof RCC2, REN, VHL HDAC6 1861/4885HDAC1 2112/4885HDAC4 2463/4885

“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.