SCHEMBL11544934

SCHEMBL11544934

CNC(=O)c1cccc(NC(=O)CC(C)=O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
KMT2A Q03164 6/20 0.53
MEN1 O00255 3/20 0.53
KDM4E B2RXH2 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C19 P33261 1/20 0.53
HIF1A Q16665 1/20 0.53
PARP1 P09874 1/20 0.52
PARP10 Q53GL7 1/20 0.52
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
MAPT P10636 3/20 0.51
GAA P10253 1/20 0.51
SIRT5 Q9NXA8 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MAPK1 P28482 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
NPC1 O15118 2/20 0.49
TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL11551280 0.86 KMT2A (0.67) ALDH1A1KMT2AMEN1KDM4ECYP1A2
SCHEMBL11544772 0.85 GAA (0.55) ALDH1A1KMT2AMEN1KDM4ECYP1A2
SCHEMBL12092118 0.84 MEN1 (0.53) ALDH1A1KMT2AMEN1HDAC8HDAC6
SCHEMBL2562988 0.84 SMN1; SMN2 (0.59) ALDH1A1KMT2AMEN1KDM4ECYP1A2
SCHEMBL10153941 0.83 TSHR (0.59) ALDH1A1KMT2AMEN1CYP1A2HDAC8
SCHEMBL8752439 0.83 MEN1 (0.66) ALDH1A1KMT2AMEN1KDM4ECYP1A2
SCHEMBL11545396 0.83 PARP1 (0.74) ALDH1A1KMT2AMEN1KDM4ECYP1A2
SCHEMBL12092129 0.82 KMT2A (0.53) ALDH1A1KMT2AMEN1CYP1A2CYP2C19
SCHEMBL24027984 0.81 ALDH1A1 (0.64) ALDH1A1KMT2AMEN1CYP1A2CYP2C19
SCHEMBL29034583 0.81 L3MBTL1 (0.75) ALDH1A1KMT2AMEN1KDM4ECYP1A2

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 7 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
EP-4149928-A1 IMIDAZOLE 3-OXIDE DERIVATIVE BASED ACSS2 INHIBITORS AND METHODS OF USE THEREOF Metabomed Ltd (IL) 2023-03-22 EP 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
WO-2021229571-A1 IMIDAZOLE 3-OXIDE DERIVATIVE BASED ACSS2 INHIBITORS AND METHODS OF USE THEREOF METABOMED LTD (IL) 2021-11-18 WO disclosed
US-4169091-A Symmetrical and asymmetrical disazo compounds containing a bis-(nitro-aryloxy)alkane middle component HOECHST AKTIENGESELLSCHAFT (DE) 1979-09-25 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-20230174507-A1 IMIDAZOLE 3-OXIDE DERIVATIVE BASED ACSS2 INHIBITORS AND METHODS OF USE THEREOF ACSS2, ADSS2, GLS2 ALDH1A1 210/4885KMT2A 821/4885MEN1 940/4885

“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.