SCHEMBL22149737

SCHEMBL22149737

C=CC(=O)NCCOCCOCC(=O)Nc1ccc(CN)nc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 4/20 0.38
▸ CA1 P00915 4/20 0.38
▸ CA2 P00918 4/20 0.38
▸ CA4 P22748 4/20 0.38
▸ CA9 Q16790 4/20 0.38
▸ CA14 Q9ULX7 4/20 0.38
▸ APP P05067 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ITK Q08881 4/20 0.34
▸ EGFR P00533 2/20 0.33
▸ TRPV1 Q8NER1 2/20 0.33
▸ NCF1 P14598 1/20 0.32
▸ KDR P35968 1/20 0.32
▸ TGM2 P21980 2/20 0.32
▸ AKT1 P31749 1/20 0.32
▸ F13A1 P00488 1/20 0.32
▸ LMNA P02545 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
SCHEMBL22149741 0.84 EGFR (0.38) CA12CA1CA2CA4CA9
SCHEMBL23810139 0.81 SMN1; SMN2 (0.42) CA1CA2KDM4EMEN1MAPT
SCHEMBL22150190 0.80 SMN1; SMN2 (0.41) MEN1KMT2A
SCHEMBL22149742 0.79 HDAC3 (0.42) TGM2
SCHEMBL23810149 0.72 MAPT (0.37) CA1CA2CA14KDM4EMEN1
SCHEMBL12328384 0.68 TSHR (0.52) CA2MEN1KMT2AITKTGM2
SCHEMBL12213321 0.68 TSHR (0.52) CA2MEN1KMT2AITKTGM2
SCHEMBL4361183 0.68 TSHR (0.52) CA2MEN1KMT2AITKTGM2
SCHEMBL12328966 0.68 TSHR (0.52) CA2MEN1KMT2AITKTGM2
SCHEMBL22150633 0.68 KDM4E (0.45) KDM4ETGM2

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 CA12 1788/4885CA1 2063/4885CA2 4582/4885

“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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