SCHEMBL25822262

SCHEMBL25822262

Cc1cn(CCCNC(=O)CN(C)C)nn1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 15/20 0.37
HDAC6 Q9UBN7 15/20 0.37
HDAC3 O15379 13/20 0.37
HDAC4 P56524 13/20 0.37
HDAC7 Q8WUI4 13/20 0.37
HDAC2 Q92769 13/20 0.37
HDAC10 Q969S8 13/20 0.37
HDAC11 Q96DB2 13/20 0.37
HDAC8 Q9BY41 13/20 0.37
HDAC9 Q9UKV0 13/20 0.37
HDAC5 Q9UQL6 13/20 0.37
FOLH1 Q04609 2/20 0.35
TYMS P04818 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
SCHEMBL25819734 0.85 POLB (0.34) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL17320678 0.81 MAPK1 (0.41) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL25606926 0.76 TP53 (0.36) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL25701589 0.73 HDAC3 (0.44) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL20445539 0.73 DPP4 (0.38) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL18376154 0.73 DRD2 (0.39) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL17601989 0.72 MAPK1 (0.44)
SCHEMBL25819729 0.71 KMT2A (0.33)
SCHEMBL25708150 0.70 HPGD (0.45) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL13469511 0.70 SMPD1 (0.44) HDAC1HDAC6HDAC3HDAC4HDAC7

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-20230220008-A1 MULTIMERIC BICYCLIC PEPTIDE LIGANDS BICYCLETX LIMITED (GB) 2023-07-13 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-20230220008-A1 MULTIMERIC BICYCLIC PEPTIDE LIGANDS CD40, TNFSF11, TNFRSF9 HDAC1 2328/4885HDAC6 766/4885HDAC3 1771/4885

“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.