SCHEMBL22150194

SCHEMBL22150194

C=C(C)C(=O)NCCNC(=O)CCC(=O)Nc1ccc(CN)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ CA12 O43570 2/20 0.38
▸ CA1 P00915 2/20 0.38
▸ CA2 P00918 2/20 0.38
▸ CA4 P22748 2/20 0.38
▸ CA9 Q16790 2/20 0.38
▸ CA14 Q9ULX7 2/20 0.38
▸ ITGB3 P05106 1/20 0.37
▸ ITGA2B P08514 1/20 0.37
▸ MAPT P10636 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ HDAC3 O15379 1/20 0.36
▸ HDAC4 P56524 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC7 Q8WUI4 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36

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
SCHEMBL22150873 0.95 GAA (0.41) GAASMN1; SMN2LMNACA12CA1
SCHEMBL22150193 0.83 GAA (0.39) GAASMN1; SMN2LMNACA12CA1
SCHEMBL22150881 0.79 GAA (0.37) GAASMN1; SMN2LMNAMAPTKDM4E
SCHEMBL23476624 0.75 SMN1; SMN2 (0.48) SMN1; SMN2LMNAHDAC3HDAC4HDAC1
SCHEMBL29403601 0.74 SMN1; SMN2 (0.46) SMN1; SMN2LMNACA12CA1CA2
SCHEMBL22501648 0.74 SMN1; SMN2 (0.46) SMN1; SMN2LMNACA12CA1CA2
SCHEMBL23810139 0.73 SMN1; SMN2 (0.42) GAASMN1; SMN2CA1CA2MAPT
SCHEMBL22150190 0.72 SMN1; SMN2 (0.41) SMN1; SMN2MEN1KMT2AHDAC3HDAC4
SCHEMBL22149742 0.71 HDAC3 (0.42) SMN1; SMN2HDAC3HDAC4HDAC1HDAC7
SCHEMBL22149953 0.71 SMN1; SMN2 (0.45) SMN1; SMN2MAPTKDM4EMEN1KMT2A

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 1031/4885SMN1; SMN2 1789/4885LMNA 1237/4885

“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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