SCHEMBL24027944

SCHEMBL24027944

COc1ccc(Br)c(C)c1-c1cnccn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ NR4A1 P22736 1/20 0.39
▸ ESR2 Q92731 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ CTDSP1 Q9GZU7 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ RECQL P46063 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ KLK3 P07288 1/20 0.37
▸ LRRK2 Q5S007 1/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ MAPT P10636 1/20 0.35
▸ NQO2 P16083 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
SCHEMBL30212853 1.00 POLB (0.39) POLBALDH1A1HPGDNR4A1ESR2
SCHEMBL25577338 0.87 RECQL (0.43) POLBALDH1A1HPGDNR4A1ESR2
SCHEMBL30212805 0.80 CCNT1 (0.42) ALDH1A1HPGDKDM4EMAPTNQO2
SCHEMBL24028284 0.80 CCNT1 (0.42) ALDH1A1HPGDKDM4EMAPTNQO2
SCHEMBL24027953 0.78 MAPT (0.44) POLBALDH1A1NPSR1RECQLHTT
SCHEMBL548104 0.76 KDM4E (0.48) POLBALDH1A1HPGDNPSR1HTT
SCHEMBL24027842 0.75 ALDH1A1 (0.43) POLBALDH1A1HPGDNR4A1ESR2
SCHEMBL4902634 0.75 HTT (0.44) POLBALDH1A1HPGDNR4A1ESR2
SCHEMBL30212908 0.75 ALDH1A1 (0.43) POLBALDH1A1HPGDNR4A1ESR2
SCHEMBL24027834 0.74 NQO2 (0.40) ALDH1A1HPGDKDM4EMEN1KMT2A

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 POLB 2069/4885ALDH1A1 210/4885HPGD 1987/4885

“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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