SCHEMBL24028223

SCHEMBL24028223

CC(=O)CC(=O)Nc1cccc(C2(C(F)(F)F)CC2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 7/20 0.48
▸ MEN1 O00255 6/20 0.48
▸ ALDH1A1 P00352 7/20 0.47
▸ CYP1A2 P05177 2/20 0.47
▸ CYP2C19 P33261 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ HIF1A Q16665 1/20 0.47
▸ MAPT P10636 3/20 0.46
▸ POLB P06746 1/20 0.42
▸ NR4A1 P22736 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ XBP1 P17861 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ HPGD P15428 1/20 0.40

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
SCHEMBL8752439 0.77 MEN1 (0.66) KMT2AMEN1ALDH1A1CYP1A2CYP2C19
SCHEMBL24027894 0.77 GFER (0.40) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL30212852 0.76 LMNA (0.50) KMT2AMEN1ALDH1A1CYP1A2CYP2C19
SCHEMBL24027843 0.76 LMNA (0.50) KMT2AMEN1ALDH1A1CYP1A2CYP2C19
SCHEMBL9429509 0.76 SMN1; SMN2 (0.69) KMT2AMEN1ALDH1A1MAPTRAB9A
SCHEMBL30212894 0.76 SMN1; SMN2 (0.69) KMT2AMEN1ALDH1A1MAPTRAB9A
SCHEMBL29072670 0.75 PDK2 (0.43) —
SCHEMBL22678507 0.74 SMN1; SMN2 (0.56) KMT2AMEN1ALDH1A1CYP1A2CYP2C19
SCHEMBL29408140 0.74 SMN1; SMN2 (0.56) KMT2AMEN1ALDH1A1CYP1A2CYP2C19
SCHEMBL24028054 0.73 KMT2A (0.50) KMT2AMEN1ALDH1A1CYP1A2CYP2C19

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 KMT2A 821/4885MEN1 940/4885ALDH1A1 210/4885

“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.

Send feedback