SCHEMBL21246778

SCHEMBL21246778

CCOC(=O)Cn1cc(I)c2c(O)nccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.43
MAPT P10636 2/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MITF O75030 1/20 0.41
TSHR P16473 2/20 0.40
KDM4E B2RXH2 2/20 0.40
ESR2 Q92731 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PIN1 Q13526 1/20 0.38
PIN4 Q9Y237 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL21262602 0.85 LMNA (0.43) ALDH1A1MAPTLMNAPOLBL3MBTL1
SCHEMBL21246978 0.75 ALDH1A1 (0.43) ALDH1A1MAPTLMNAPOLBL3MBTL1
SCHEMBL21246876 0.75 KMT2A (0.43) ALDH1A1MAPTLMNAPOLBL3MBTL1
SCHEMBL21246772 0.71 FPR2 (0.41) ALDH1A1POLBKDM4EKMT2AFPR2
SCHEMBL21246819 0.69 PTGS2 (0.37) ALDH1A1MAPTPOLBKDM4EKMT2A
SCHEMBL12636573 0.69 FPR2 (0.46) ALDH1A1MAPTLMNAPOLBMITF
SCHEMBL15084531 0.67 GAA (0.43) ALDH1A1MAPTPOLBL3MBTL1KDM4E
SCHEMBL17124968 0.66 MITF (0.44) ALDH1A1MAPTMITFKDM4EPIN1
SCHEMBL13769678 0.66 MITF (0.41) ALDH1A1MAPTLMNAPOLBL3MBTL1
SCHEMBL31208191 0.66 ALDH1A1 (0.49) ALDH1A1MAPTLMNAPOLBL3MBTL1

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 ALDH1A1 3501/4885MAPT 2333/4885LMNA 2458/4885
US-20200331921-A1 INHIBITORS OF THE BCL6 BTB DOMAIN PROTEIN-PROTEIN INTERACTION AND USES THEREOF BCL6, BCL6B, BCL3 ALDH1A1 3306/4885MAPT 2192/4885LMNA 2234/4885

“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.