SCHEMBL21246933

SCHEMBL21246933

COC(=O)Cn1cc(I)c2c(=O)n(C)c(OC)nc21

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
FPR2 P25090 3/20 0.35
BCL6 P41182 1/20 0.35
ALDH1A1 P00352 2/20 0.34
HPGD P15428 1/20 0.34
KDM4E B2RXH2 3/20 0.33
POLB P06746 2/20 0.33
KMT2A Q03164 1/20 0.33
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL21246768 0.89 ADORA2B (0.38) SMN1; SMN2MTNR1AMTNR1BFPR2BCL6
SCHEMBL21262367 0.88 SMN1; SMN2 (0.41) SMN1; SMN2MTNR1AMTNR1BFPR2ALDH1A1
SCHEMBL21262019 0.86 SMN1; SMN2 (0.43) SMN1; SMN2MTNR1AMTNR1BFPR2ALDH1A1
SCHEMBL21246767 0.85 SMN1; SMN2 (0.43) SMN1; SMN2MTNR1AMTNR1BFPR2ALDH1A1
SCHEMBL21262424 0.82 SMN1; SMN2 (0.40) SMN1; SMN2FPR2BCL6
SCHEMBL21246736 0.78 SMN1; SMN2 (0.50) SMN1; SMN2FPR2BCL6POLBKMT2A
SCHEMBL21262079 0.77 LMNA (0.39) SMN1; SMN2FPR2ALDH1A1KMT2A
SCHEMBL21249071 0.75 FPR2 (0.38) SMN1; SMN2MTNR1AMTNR1BFPR2ALDH1A1
SCHEMBL23004023 0.75 BCL6 (0.38) SMN1; SMN2MTNR1AMTNR1BBCL6POLB
SCHEMBL22578915 0.74 RXFP1 (0.41) BCL6ALDH1A1KDM4EPOLB

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 SMN1; SMN2 3475/4885MTNR1A 4129/4885MTNR1B 3850/4885
US-20200331921-A1 INHIBITORS OF THE BCL6 BTB DOMAIN PROTEIN-PROTEIN INTERACTION AND USES THEREOF BCL6, BCL6B, BCL3 SMN1; SMN2 3429/4885MTNR1A 3704/4885MTNR1B 3461/4885

“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.