SCHEMBL21246777

SCHEMBL21246777

COc1ccc(CN(C(=O)CCl)c2ccccc2Cl)c(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSPO P30536 1/20 0.49
BCL2A1 Q16548 1/20 0.48
PAX8 Q06710 1/20 0.47
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 3/20 0.46
TSHR P16473 2/20 0.46
NPC1 O15118 2/20 0.45
MITF O75030 1/20 0.45
RAB9A P51151 1/20 0.45
RNF4 P78317 1/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL13035846 0.84 POLB (0.50) TSPOPAX8ALDH1A1KDM4ETSHR
SCHEMBL5243554 0.79 ALDH1A1 (0.48) TSPOBCL2A1ALDH1A1KDM4ETSHR
SCHEMBL15670616 0.79 KMT2A (0.49) ALDH1A1KDM4ETSHRNPC1MITF
SCHEMBL6437439 0.78 RAB9A (0.47) BCL2A1PAX8ALDH1A1KDM4ETSHR
SCHEMBL3625774 0.75 TSPO (0.43) TSPOPAX8ALDH1A1KDM4ENPC1
SCHEMBL23144578 0.74 MEN1 (0.47) PAX8ALDH1A1KDM4ETSHRNPC1
SCHEMBL7569801 0.74 TSPO (0.65) TSPO
SCHEMBL10903904 0.73 ALDH1A1 (0.44) ALDH1A1KDM4ETSHRKMT2AMEN1
SCHEMBL15366455 0.72 ALDH1A1 (0.47) ALDH1A1KDM4ETSHRMITFHSD17B10
SCHEMBL7576003 0.72 TSPO (0.71) TSPO

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 8 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
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
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
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 TSPO 1450/4885BCL2A1 59/4885PAX8 1681/4885
US-20200331921-A1 INHIBITORS OF THE BCL6 BTB DOMAIN PROTEIN-PROTEIN INTERACTION AND USES THEREOF BCL6, BCL6B, BCL3 TSPO 1748/4885BCL2A1 53/4885PAX8 1342/4885

“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.