SCHEMBL24028100

SCHEMBL24028100

COc1ccc(C=O)c(C)c1-c1ncccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 6/20 0.41
▸ ALDH1A1 P00352 6/20 0.40
▸ TLR2 O60603 1/20 0.39
▸ TLR1 Q15399 1/20 0.39
▸ TLR6 Q9Y2C9 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ LMNA P02545 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ GFER P55789 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ FGFR1 P11362 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ TSHR P16473 2/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ KMT2A Q03164 2/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ PDGFRB P09619 1/20 0.36
▸ PDGFRA P16234 1/20 0.36

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
SCHEMBL25577283 0.81 CLK4 (0.42) ALDH1A1RXFP1RAB9AMAPTKDM4E
SCHEMBL24028056 0.78 CCNT1 (0.39) ERN1ALDH1A1TLR2TLR1TLR6
SCHEMBL30213261 0.78 CCNT1 (0.39) ERN1ALDH1A1TLR2TLR1TLR6
SCHEMBL24028116 0.77 ERN1 (0.38) ERN1ALDH1A1TLR2TLR1TLR6
SCHEMBL24027953 0.77 MAPT (0.44) ERN1ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL24027834 0.76 NQO2 (0.40) ALDH1A1RXFP1NPC1RAB9ALMNA
SCHEMBL28373910 0.75 ALDH1A1 (0.46) ERN1ALDH1A1TLR2TLR1TLR6
SCHEMBL851964 0.74 ALDH1A1 (0.52) ERN1ALDH1A1TLR2TLR1TLR6
SCHEMBL29953692 0.74 ALDH1A1 (0.52) ERN1ALDH1A1TLR2TLR1TLR6
SCHEMBL7055331 0.73 ERN1 (0.51) ERN1ALDH1A1LMNAMAPTKDM4E

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 ERN1 2768/4885ALDH1A1 210/4885TLR2 1750/4885

“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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