SCHEMBL25577338

SCHEMBL25577338

COc1ccc(OC)c(-c2cnccn2)c1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RECQL P46063 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ POLB P06746 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ NR4A1 P22736 1/20 0.40
▸ ESR2 Q92731 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ CTDSP1 Q9GZU7 1/20 0.40
▸ KLK3 P07288 1/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ LRRK2 Q5S007 1/20 0.39
▸ MAPT P10636 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38

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 0.87 POLB (0.39) RECQLHTTALDH1A1NPSR1POLB
SCHEMBL24027944 0.87 POLB (0.39) RECQLHTTALDH1A1NPSR1POLB
SCHEMBL24027953 0.84 MAPT (0.44) RECQLHTTALDH1A1NPSR1POLB
SCHEMBL24027842 0.80 ALDH1A1 (0.43) RECQLHTTALDH1A1NPSR1POLB
SCHEMBL30212908 0.80 ALDH1A1 (0.43) RECQLHTTALDH1A1NPSR1POLB
SCHEMBL16385234 0.73 RAB9A (0.53) RECQLHTTALDH1A1NPSR1KLK3
SCHEMBL14951105 0.73 KDM4E (0.48) RECQLHTTALDH1A1NPSR1POLB
SCHEMBL10353432 0.72 FYN (0.49) HTTALDH1A1HPGDHSD17B10KLK3
SCHEMBL30336594 0.72 FYN (0.49) HTTALDH1A1HPGDHSD17B10KLK3
SCHEMBL25577283 0.71 CLK4 (0.42) HTTALDH1A1NPSR1CYP1A2MEN1

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 RECQL 4504/4885HTT 4781/4885ALDH1A1 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