SCHEMBL24027842

SCHEMBL24027842

COc1cccc(C)c1-c1cnccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ NR4A1 P22736 1/20 0.43
▸ ESR2 Q92731 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ CTDSP1 Q9GZU7 1/20 0.43
▸ HTT P42858 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ L3MBTL1 Q9Y468 3/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ SYK P43405 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ APLNR P35414 3/20 0.39
▸ ADORA3 P0DMS8 1/20 0.39
▸ ADORA2A P29274 1/20 0.39
▸ ADORA2B P29275 1/20 0.39
▸ ADORA1 P30542 1/20 0.39

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
SCHEMBL30212908 1.00 ALDH1A1 (0.43) ALDH1A1POLBHPGDNR4A1ESR2
SCHEMBL15618043 0.81 APLNR (0.55) ALDH1A1POLBHPGDHSD17B10HTT
SCHEMBL25577338 0.80 RECQL (0.43) ALDH1A1POLBHPGDNR4A1ESR2
SCHEMBL30212902 0.79 CCNT1 (0.43) ALDH1A1HSD17B10LMNASYKMEN1
SCHEMBL24028144 0.79 CCNT1 (0.43) ALDH1A1HSD17B10LMNASYKMEN1
SCHEMBL24027944 0.75 POLB (0.39) ALDH1A1POLBHPGDNR4A1ESR2
SCHEMBL30212853 0.75 POLB (0.39) ALDH1A1POLBHPGDNR4A1ESR2
SCHEMBL17591534 0.75 HSD17B10 (0.55) ALDH1A1POLBHPGDNR4A1ESR2
SCHEMBL30636365 0.75 HSD17B10 (0.55) ALDH1A1POLBHPGDNR4A1ESR2
SCHEMBL17194890 0.74 MAPK1 (0.43) ALDH1A1POLBHPGDNR4A1ESR2

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 ALDH1A1 210/4885POLB 2069/4885HPGD 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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