SCHEMBL24027953

SCHEMBL24027953

COc1ccc(C=O)c(C)c1-c1cnccn1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.44
▸ KDM4E B2RXH2 3/20 0.38
▸ ERN1 O75460 4/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ POLB P06746 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ KLK3 P07288 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ GAA P10253 1/20 0.36
▸ CYP1A1 P04798 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP1B1 Q16678 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL25577338 0.84 RECQL (0.43) MAPTKDM4EMEN1KMT2APOLB
SCHEMBL24028056 0.82 CCNT1 (0.39) MAPTKDM4EERN1MEN1KMT2A
SCHEMBL30213261 0.82 CCNT1 (0.39) MAPTKDM4EERN1MEN1KMT2A
SCHEMBL30212853 0.78 POLB (0.39) MAPTKDM4EMEN1KMT2APOLB
SCHEMBL24027944 0.78 POLB (0.39) MAPTKDM4EMEN1KMT2APOLB
SCHEMBL24028100 0.77 ERN1 (0.41) MAPTKDM4EERN1MEN1KMT2A
SCHEMBL24028116 0.75 ERN1 (0.38) MAPTKDM4EERN1POLBALDH1A1
SCHEMBL30212908 0.72 ALDH1A1 (0.43) MAPTKDM4EMEN1KMT2APOLB
SCHEMBL24027842 0.72 ALDH1A1 (0.43) MAPTKDM4EMEN1KMT2APOLB
SCHEMBL6040687 0.71 ALDH1A1 (0.50) MAPTKDM4EERN1ALDH1A1KLK3

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 2 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
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 MAPT 2167/4885KDM4E 1726/4885ERN1 2768/4885

“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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