SCHEMBL22150193

SCHEMBL22150193

C=C(C)C(=O)NCCNC(=O)CCC(=O)Nc1ccc(CN=[N+]=[N-])nc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.39
▸ MAPT P10636 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ HDAC8 Q9BY41 5/20 0.34
▸ HDAC3 O15379 2/20 0.33
▸ NCOR2 Q9Y618 1/20 0.33
▸ HDAC1 Q13547 2/20 0.33
▸ HDAC2 Q92769 2/20 0.33
▸ CASP3 P42574 1/20 0.32
▸ CA12 O43570 2/20 0.32
▸ CA1 P00915 2/20 0.32
▸ CA2 P00918 2/20 0.32
▸ CA4 P22748 2/20 0.32
▸ CA9 Q16790 2/20 0.32
▸ CA14 Q9ULX7 2/20 0.32
▸ HDAC4 P56524 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
SCHEMBL22150881 0.96 GAA (0.37) GAAMAPTKDM4EMEN1KMT2A
SCHEMBL22150194 0.83 GAA (0.43) GAAMAPTKDM4EMEN1KMT2A
SCHEMBL22122701 0.82 CYP1A1 (0.46) MAPTKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL22150873 0.79 GAA (0.41) GAAMAPTKDM4EMEN1KMT2A
SCHEMBL22122705 0.78 SMN1; SMN2 (0.41) MAPTKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL22149955 0.76 SMN1; SMN2 (0.38) MAPTKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL22122715 0.76 SMN1; SMN2 (0.43) SMN1; SMN2HDAC8HDAC3NCOR2HDAC1
SCHEMBL29391711 0.76 CA1 (0.44) MAPTKDM4EMEN1KMT2ALMNA
SCHEMBL22150196 0.76 HDAC8 (0.39) SMN1; SMN2HDAC8HDAC3NCOR2HDAC1
SCHEMBL22149736 0.75 HDAC8 (0.40) SMN1; SMN2HDAC8HDAC3NCOR2HDAC1

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-20210284609-A1 HETEROCYCLIC AZIDE UNITS AND THEIR USE IN POLYMER COATINGS ILLUMINA CAMBRIDGE LIMITED (GB) 2021-09-16 — — US disclosed
WO-2020126598-A1 HETEROCYCLIC AZIDE UNITS AND THEIR USE IN POLYMER COATINGS ILLUMINA CAMBRIDGE LIMITED (GB) 2020-06-25 — — 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-20210284609-A1 HETEROCYCLIC AZIDE UNITS AND THEIR USE IN POLYMER COATINGS POLL, PCNA, DNMT3A GAA 1031/4885MAPT 3406/4885KDM4E 3663/4885

“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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