SCHEMBL30368172

SCHEMBL30368172

[N-]=[N+]=NCC(=O)c1ccc(O)c(O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 3/20 0.46
▸ CA1 P00915 3/20 0.46
▸ CA2 P00918 3/20 0.46
▸ CA7 P43166 3/20 0.46
▸ CA9 Q16790 3/20 0.46
▸ CA14 Q9ULX7 3/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ GAA P10253 2/20 0.46
▸ POLB P06746 2/20 0.46
▸ MAPT P10636 1/20 0.46
▸ CA4 P22748 1/20 0.46
▸ CA6 P23280 1/20 0.46
▸ PTGS2 P35354 1/20 0.46
▸ PLAA Q9Y263 6/20 0.45
▸ ALPG P10696 7/20 0.44
▸ ALPL P05186 4/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.42
▸ ALPI P09923 3/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL17311212 1.00 CA12 (0.46) CA12CA1CA2CA7CA9
SCHEMBL25222935 0.84 PKM (0.53) CA2CA9KDM4EGAAPOLB
SCHEMBL28214996 0.80 NPC1 (0.48) L3MBTL1KDM4EGAAPOLBMAPT
SCHEMBL26922809 0.78 KMO (0.47) KDM4EPOLBHDAC6
SCHEMBL13977643 0.77 PTPN1 (0.56) KDM4EPOLBMAPTTDP1MEN1
SCHEMBL28984896 0.77 GSK3B (0.52) L3MBTL1GAAMAPTHDAC6TDP1
SCHEMBL14466949 0.75 GSK3B (0.52) CA1CA2L3MBTL1KDM4EPOLB
SCHEMBL34473284 0.75 MEN1 (0.38) CA2CA9KDM4EPOLBMAPT
SCHEMBL13857466 0.75 GSK3B (0.55) CA1CA2KDM4EPOLBHDAC6
SCHEMBL13817452 0.75 NPC1 (0.50) CA1CA2MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250000091-A1 GRAFTABLE BIOCIDAL LINKERS AND POLYMERS AND USES THEREOF DEBOGY MOLECULAR, INC. (US) 2025-01-02 — — US disclosed
WO-2023102567-A2 GRAFTABLE BIOCIDAL LINKERS AND POLYMERS AND USES THEREOF DEBOGY MOLECULAR, INC. (US) 2023-06-08 — — WO disclosed
CN-115988962-A Graftable biocidal linkers and polymers and uses thereof 德保吉分子公司 2023-04-18 — — CN 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-20250000091-A1 GRAFTABLE BIOCIDAL LINKERS AND POLYMERS AND USES THEREOF ALG1, BSG, BTD CA12 1413/4885CA1 1155/4885CA2 3224/4885

“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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