SCHEMBL21246678

SCHEMBL21246678

CC(C)(C)CC(C)(C)NC(=O)c1cc(Br)c(Cl)cc1O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.44
ANO1 Q5XXA6 4/20 0.37
HTT P42858 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
APEX1 P27695 1/20 0.37
KDM4E B2RXH2 1/20 0.36
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
TMPRSS4 Q9NRS4 2/20 0.34
HSP90AA1 P07900 1/20 0.33
P2RX1 P51575 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
CNR2 P34972 1/20 0.32

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
SCHEMBL21262465 0.84 POLB (0.43) POLBANO1HTTSMN1; SMN2APEX1
SCHEMBL26310537 0.79 POLB (0.43) POLBHTTSMN1; SMN2APEX1KDM4E
SCHEMBL21246717 0.78 POLB (0.38) POLBHTTSMN1; SMN2APEX1KDM4E
SCHEMBL21246723 0.77 POLB (0.44) POLBANO1HTTSMN1; SMN2KDM4E
SCHEMBL22578857 0.77 POLB (0.39) POLBHTTSMN1; SMN2APEX1KDM4E
SCHEMBL20605259 0.75 POLB (0.45) POLBHTTSMN1; SMN2APEX1MEN1
SCHEMBL21246831 0.74 POLB (0.54) POLBHTTKDM4ETMPRSS4P2RX1
SCHEMBL3457084 0.73 POLB (0.61) POLBHTTSMN1; SMN2MEN1KMT2A
SCHEMBL6567249 0.73 POLB (0.57) POLBANO1HTTSMN1; SMN2APEX1
SCHEMBL6566803 0.73 POLB (0.57) POLBANO1HTTSMN1; SMN2APEX1

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 3872/4885ANO1 4835/4885HTT 3131/4885
US-20200331921-A1 INHIBITORS OF THE BCL6 BTB DOMAIN PROTEIN-PROTEIN INTERACTION AND USES THEREOF BCL6, BCL6B, BCL3 POLB 3681/4885ANO1 4839/4885HTT 3446/4885

“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.