SCHEMBL25577283

SCHEMBL25577283

COc1ccc(OC)c(-c2ncccn2)c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CLK4 Q9HAZ1 2/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ PLAU P00749 1/20 0.40
▸ PDGFRB P09619 1/20 0.39
▸ PDGFRA P16234 1/20 0.39
▸ DYRK1A Q13627 1/20 0.39
▸ MAPT P10636 3/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ USP2 O75604 1/20 0.38
▸ DUSP3 P51452 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ CYP19A1 P11511 1/20 0.37
▸ NMT1 P30419 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CA12 O43570 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
SCHEMBL24027834 0.85 NQO2 (0.40) CLK4ALDH1A1RXFP1MEN1KMT2A
SCHEMBL26260094 0.82 HIF1A (0.46) CLK4ALDH1A1MEN1KMT2APLAU
SCHEMBL24028098 0.81 PDCD1 (0.42) CLK4ALDH1A1MEN1KMT2APLAU
SCHEMBL24028100 0.81 ERN1 (0.41) ALDH1A1RXFP1MEN1KMT2APDGFRB
SCHEMBL24028261 0.78 SYK (0.48) CLK4ALDH1A1MEN1KMT2APLAU
SCHEMBL24028273 0.76 DPP4 (0.46) ALDH1A1MEN1KMT2AMAPTHTT
SCHEMBL12994039 0.74 CA1 (0.48) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL31175964 0.73 HSP90AA1 (0.49) CLK4ALDH1A1MEN1KMT2APLAU
SCHEMBL12994038 0.71 ALDH1A1 (0.45) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL25577310 0.71 MAPT (0.34) ALDH1A1RXFP1MEN1KMT2APLAU

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 1 patent. 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

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 CLK4 1150/4885ALDH1A1 210/4885RXFP1 4780/4885

“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