SCHEMBL23623804

SCHEMBL23623804

CCC(=O)CC(=O)OCc1ccc(N=[N+]=[N-])cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 4/20 0.41
▸ HDAC2 Q92769 3/20 0.41
▸ HDAC1 Q13547 2/20 0.41
▸ SCN1A P35498 1/20 0.40
▸ SCN2A Q99250 1/20 0.40
▸ SCN3A Q9NY46 1/20 0.40
▸ PTGS2 P35354 2/20 0.39
▸ SLC6A3 Q01959 3/20 0.36
▸ TP53 P04637 1/20 0.36
▸ CYP4Z1 Q86W10 1/20 0.35
▸ HDAC3 O15379 2/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ NCOR2 Q9Y618 1/20 0.33

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
SCHEMBL23623916 0.86 HDAC8 (0.40) HDAC8HDAC2HDAC1SCN1ASCN2A
SCHEMBL13449655 0.79 ALDH1A1 (0.53) HDAC8HDAC2HDAC1SCN1ASCN2A
SCHEMBL15083519 0.76 CA1 (0.42) HDAC8SCN1ASCN2ASCN3APTGS2
SCHEMBL23157115 0.76 TP53 (0.42) HDAC8HDAC2HDAC1SCN1ASCN2A
SCHEMBL16674090 0.76 ALDH1A1 (0.53) HDAC8SCN1ASCN2ASCN3APTGS2
SCHEMBL23623825 0.76 PPID (0.46) ALDH1A1MAPK1L3MBTL1
SCHEMBL23623824 0.76 PTGS2 (0.37) HDAC8HDAC2HDAC1SCN1ASCN2A
SCHEMBL4486830 0.76 ALDH1A1 (0.59) SLC6A3ALDH1A1MAPK1L3MBTL1
SCHEMBL16324874 0.75 ALDH1A1 (0.57) ALDH1A1MAPK1L3MBTL1
SCHEMBL21671191 0.74 TP53 (0.38) SCN1ASCN2ASCN3APTGS2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210207188-A1 BETA-LACTAM COMPOUNDS AND METHODS OF USE THEREOF THE UNIVERSITY OF HONG KONG (HK) 2021-07-08 — — 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 (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-20210207188-A1 BETA-LACTAM COMPOUNDS AND METHODS OF USE THEREOF MGAM, SI, PGLS HDAC8 1964/4885HDAC2 3121/4885HDAC1 2689/4885

“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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