SCHEMBL21246723

SCHEMBL21246723

CC(C)(C)CC(C)(C)NC(=O)c1cc(Br)ncc1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
HTT P42858 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KDM1A O60341 4/20 0.33
HDAC1 Q13547 4/20 0.33
MAPT P10636 3/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 2/20 0.31
TP53 P04637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
AR P10275 2/20 0.31
GAA P10253 1/20 0.31
ANO1 Q5XXA6 1/20 0.31
EPHX1 P07099 1/20 0.31
EGLN1 Q9GZT9 1/20 0.30
EGLN3 Q9H6Z9 1/20 0.30
SYK P43405 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
SCHEMBL21246846 0.79 POLB (0.39) POLBHTTSMN1; SMN2MAPTNPSR1
SCHEMBL21246678 0.77 POLB (0.44) POLBHTTSMN1; SMN2MAPTKMT2A
SCHEMBL21262465 0.76 POLB (0.43) POLBHTTSMN1; SMN2MAPTKMT2A
SCHEMBL6567249 0.73 POLB (0.57) POLBHTTSMN1; SMN2MAPTKMT2A
SCHEMBL17774870 0.72 ALOX5 (0.54) POLBHTTSMN1; SMN2MAPTKMT2A
SCHEMBL21246800 0.71 POLB (0.44) POLBHTTSMN1; SMN2MAPTKMT2A
SCHEMBL1977994 0.71 HTT (0.41) POLBHTTSMN1; SMN2MAPTKMT2A
SCHEMBL21246814 0.71 POLB (0.50) POLBHTTSMN1; SMN2MAPTKMT2A
SCHEMBL21262547 0.70 POLB (0.43) POLBHTTSMN1; SMN2MAPTKMT2A
SCHEMBL26310537 0.70 POLB (0.43) POLBHTTSMN1; SMN2MAPTKMT2A

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 POLB 3872/4885HTT 3131/4885SMN1; SMN2 3475/4885
US-20200331921-A1 INHIBITORS OF THE BCL6 BTB DOMAIN PROTEIN-PROTEIN INTERACTION AND USES THEREOF BCL6, BCL6B, BCL3 POLB 3681/4885HTT 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.