SCHEMBL24028376

SCHEMBL24028376

Cn1cc(-c2cccc(NC(=O)OC(C)(C)C)c2)nn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.50
HDAC3 O15379 5/20 0.48
HDAC1 Q13547 4/20 0.48
HDAC2 Q92769 4/20 0.48
HDAC10 Q969S8 3/20 0.48
HDAC8 Q9BY41 3/20 0.48
P2RY14 Q15391 1/20 0.46
SCN3A Q9NY46 5/20 0.45
SCN4A P35499 3/20 0.45
HDAC6 Q9UBN7 2/20 0.44
NCOR2 Q9Y618 1/20 0.44
GSK3B P49841 1/20 0.43
DYRK1A Q13627 1/20 0.43
BCL2 P10415 1/20 0.43
BECN1 Q14457 1/20 0.43
KDM4E B2RXH2 1/20 0.43
BRD4 O60885 2/20 0.43
CREBBP Q92793 1/20 0.43
SCN9A Q15858 1/20 0.43
BRD9 Q9H8M2 1/20 0.43

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
SCHEMBL30255795 1.00 CYP17A1 (0.50) CYP17A1HDAC3HDAC1HDAC2HDAC10
SCHEMBL25200778 0.82 HDAC3 (0.47) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL30256312 0.79 HDAC3 (0.50) CYP17A1HDAC3HDAC1HDAC2HDAC10
SCHEMBL24028065 0.79 HDAC3 (0.50) CYP17A1HDAC3HDAC1HDAC2HDAC10
SCHEMBL24926744 0.78 CYP17A1 (0.41) CYP17A1HDAC3HDAC1HDAC2HDAC10
SCHEMBL30256169 0.78 CYP17A1 (0.44) CYP17A1HDAC3HDAC1HDAC2HDAC10
SCHEMBL30203099 0.78 CYP17A1 (0.41) CYP17A1HDAC3HDAC1HDAC2HDAC10
SCHEMBL24028388 0.78 CYP17A1 (0.44) CYP17A1HDAC3HDAC1HDAC2HDAC10
SCHEMBL24028068 0.78 HDAC3 (0.49) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL30212991 0.78 HDAC3 (0.49) HDAC3HDAC1HDAC2HDAC10HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230174507-A1 IMIDAZOLE 3-OXIDE DERIVATIVE BASED ACSS2 INHIBITORS AND METHODS OF USE THEREOF METABOMED LTD. (IL) 2023-06-08 US disclosed
US-20230174507-A1 IMIDAZOLE 3-OXIDE DERIVATIVE BASED ACSS2 INHIBITORS AND METHODS OF USE THEREOF METABOMED LTD. (IL) 2023-06-08 US disclosed
CN-115697974-A Imidazole 3-oxide derivative based ACSS2 inhibitors and methods of use thereof 美特波米德有限公司 2023-02-03 CN disclosed
WO-2021229571-A1 IMIDAZOLE 3-OXIDE DERIVATIVE BASED ACSS2 INHIBITORS AND METHODS OF USE THEREOF METABOMED LTD (IL) 2021-11-18 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-20230174507-A1 IMIDAZOLE 3-OXIDE DERIVATIVE BASED ACSS2 INHIBITORS AND METHODS OF USE THEREOF ACSS2, ADSS2, GLS2 CYP17A1 752/4885HDAC3 17/4885HDAC1 27/4885

“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.