SCHEMBL23623916

SCHEMBL23623916

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 2/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ SCN1A P35498 1/20 0.39
▸ SCN2A Q99250 1/20 0.39
▸ SCN3A Q9NY46 1/20 0.39
▸ TP53 P04637 1/20 0.38
▸ SLC6A3 Q01959 3/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ MAPK1 P28482 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA5A P35218 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ CA5B Q9Y2D0 1/20 0.35
▸ PTGS2 P35354 1/20 0.35
▸ CYP51A1 Q16850 1/20 0.35
▸ HDAC3 O15379 1/20 0.34
▸ NCOR2 Q9Y618 1/20 0.34

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
SCHEMBL23623804 0.86 HDAC8 (0.41) HDAC8HDAC1HDAC2SCN1ASCN2A
SCHEMBL13449655 0.84 ALDH1A1 (0.53) HDAC8HDAC1HDAC2SCN1ASCN2A
SCHEMBL8376111 0.82 ALDH1A1 (0.50) ALDH1A1MAPK1L3MBTL1CA1CA2
SCHEMBL15083519 0.78 CA1 (0.42) HDAC8SCN1ASCN2ASCN3ATP53
SCHEMBL16674090 0.78 ALDH1A1 (0.53) HDAC8SCN1ASCN2ASCN3ATP53
SCHEMBL23157115 0.78 TP53 (0.42) HDAC8HDAC1HDAC2SCN1ASCN2A
SCHEMBL23623948 0.78 TP53 (0.41) HDAC8SCN1ASCN2ASCN3ATP53
SCHEMBL25306765 0.78 ALDH1A1 (0.43) HDAC1HDAC2SCN1ASCN2ASCN3A
SCHEMBL11744031 0.77 MEN1 (0.53) ALDH1A1MAPK1L3MBTL1
SCHEMBL23623815 0.77 TP53 (0.36) HDAC8HDAC1HDAC2SCN1ASCN2A

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 1964/4885HDAC1 2689/4885HDAC2 3121/4885

“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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