SCHEMBL30921556

SCHEMBL30921556

CC(C)(C)OC(=O)NCCCC(=O)Nc1ccc(CN=[N+]=[N-])nc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 4/20 0.53
▸ CA2 P00918 4/20 0.53
▸ HDAC8 Q9BY41 7/20 0.46
▸ CYP3A4 P08684 1/20 0.41
▸ HDAC3 O15379 4/20 0.40
▸ HDAC1 Q13547 3/20 0.40
▸ HDAC2 Q92769 3/20 0.40
▸ HDAC10 Q969S8 2/20 0.40
▸ HDAC6 Q9UBN7 2/20 0.40
▸ HDAC4 P56524 1/20 0.40
▸ HDAC7 Q8WUI4 1/20 0.40
▸ HDAC11 Q96DB2 1/20 0.40
▸ HDAC9 Q9UKV0 1/20 0.40
▸ HDAC5 Q9UQL6 1/20 0.40
▸ USP2 O75604 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ GBA1 P04062 1/20 0.39
▸ NCOR2 Q9Y618 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ TLR7 Q9NYK1 1/20 0.38

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
SCHEMBL29391711 0.94 CA1 (0.44) CA1CA2HDAC8CYP3A4USP2
SCHEMBL17066875 0.88 AURKB (0.41) CA1CA2HDAC8HDAC3HDAC1
SCHEMBL16562887 0.85 NAMPT (0.43) HDAC8
SCHEMBL22122705 0.84 SMN1; SMN2 (0.41) HDAC8HDAC3HDAC1HDAC2HDAC10
SCHEMBL22149955 0.81 SMN1; SMN2 (0.38) HDAC8HDAC3HDAC1HDAC2HDAC10
SCHEMBL16560315 0.79 KDM4E (0.44) CA1CA2HDAC8CYP3A4KDM4E
SCHEMBL22122715 0.79 SMN1; SMN2 (0.43) HDAC8HDAC3HDAC1HDAC2HDAC10
SCHEMBL15299581 0.79 GABRA5 (0.45) CA1CA2KDM4ESTK17BSTK17A
SCHEMBL22150196 0.78 HDAC8 (0.39) HDAC8HDAC3HDAC1HDAC2HDAC10
SCHEMBL22149736 0.77 HDAC8 (0.40) HDAC8HDAC3HDAC1HDAC2HDAC10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240300896-A1 HETEROCYCLIC AZIDE UNITS AND THEIR USE IN POLYMER COATINGS ILLUMINA CAMBRIDGE LIMITED (GB) 2024-09-12 — — US disclosed
US-11999696-B2 Heterocyclic azide units and their use in polymer coatings ILLUMINA CAMBRIDGE LIMITED (GB) 2024-06-04 — — 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 (2 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-20240300896-A1 HETEROCYCLIC AZIDE UNITS AND THEIR USE IN POLYMER COATINGS POLL, PCNA, DNMT3A CA1 2063/4885CA2 4582/4885HDAC8 1617/4885
US-11999696-B2 Heterocyclic azide units and their use in polymer coatings POLL, PCNA, DNMT3A CA1 2063/4885CA2 4582/4885HDAC8 1617/4885

“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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