SCHEMBL21246693

SCHEMBL21246693

COCOc1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC(C)(C)CC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.35
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
WDR5 P61964 1/20 0.34
POLB P06746 1/20 0.32
CLCN2 P51788 1/20 0.31
LIPE Q05469 2/20 0.31
DGAT1 O75907 1/20 0.31
UCHL1 P09936 1/20 0.31
NPC1 O15118 1/20 0.30

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
SCHEMBL20605236 0.88 WDR5 (0.40) AAK1HTTSMN1; SMN2WDR5POLB
SCHEMBL22556073 0.82 AAK1 (0.42) AAK1HTTSMN1; SMN2WDR5POLB
SCHEMBL30137168 0.80 AAK1 (0.39) AAK1HTTSMN1; SMN2POLBDGAT1
SCHEMBL21246858 0.80 AAK1 (0.39) AAK1HTTSMN1; SMN2POLBDGAT1
SCHEMBL21246717 0.80 POLB (0.38) HTTSMN1; SMN2WDR5POLBCLCN2
SCHEMBL21246868 0.77 DGAT1 (0.35) AAK1HTTSMN1; SMN2POLBDGAT1
SCHEMBL22556130 0.75 LIPE (0.33) AAK1HTTSMN1; SMN2WDR5POLB
SCHEMBL21262039 0.74 DGAT1 (0.35) AAK1HTTSMN1; SMN2WDR5POLB
SCHEMBL30137189 0.74 DGAT1 (0.35) AAK1HTTSMN1; SMN2WDR5POLB
SCHEMBL20605724 0.73 POLB (0.38) HTTSMN1; SMN2WDR5POLB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11518764-B2 Substituted heteroaryls as inhibitors of the BCL6 BTB domain protein-protein interaction ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2022-12-06 US disclosed
EP-3749672-B1 INHIBITORS OF THE BCL6 BTB DOMAIN PROTEIN-PROTEIN INTERACTION AND USES THEREOF ONTARIO INSTITUTE FOR CANCER RES OICR (CA) 2022-07-27 EP disclosed
EP-3749672-A1 INHIBITORS OF THE BCL6 BTB DOMAIN PROTEIN-PROTEIN INTERACTION AND USES THEREOF Ontario Institute for Cancer Research (OICR) (CA) 2020-12-16 EP disclosed
US-20200331921-A1 INHIBITORS OF THE BCL6 BTB DOMAIN PROTEIN-PROTEIN INTERACTION AND USES THEREOF ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2020-10-22 US disclosed
WO-2019153080-A1 INHIBITORS OF THE BCL6 BTB DOMAIN PROTEIN-PROTEIN INTERACTION AND USES THEREOF ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2019-08-15 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 (2 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-11518764-B2 Substituted heteroaryls as inhibitors of the BCL6 BTB domain protein-protein interaction BCL6, BCL6B, BCL3 AAK1 1721/4885HTT 3131/4885SMN1; SMN2 3475/4885
US-20200331921-A1 INHIBITORS OF THE BCL6 BTB DOMAIN PROTEIN-PROTEIN INTERACTION AND USES THEREOF BCL6, BCL6B, BCL3 AAK1 1648/4885HTT 3446/4885SMN1; SMN2 3429/4885

“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.