SCHEMBL21246814

SCHEMBL21246814

CC(C)(C)CC(C)(C)NC(=O)c1nc(Br)ccc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.50
HTT P42858 4/20 0.37
MAPT P10636 2/20 0.37
ALDH1A1 P00352 2/20 0.37
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
GRM5 P41594 1/20 0.35
EGLN1 Q9GZT9 5/20 0.34
FTO Q9C0B1 4/20 0.34
KDM5B Q9UGL1 3/20 0.34
KDM2A Q9Y2K7 2/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
EGLN2 Q96KS0 1/20 0.32
DUT P33316 1/20 0.32
EPHX1 P07099 1/20 0.32
HIF1AN Q9NWT6 2/20 0.32
KDM6B O15054 2/20 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
SCHEMBL21247034 0.79 POLB (0.42) POLBHTTMAPTALDH1A1TP53
SCHEMBL6567249 0.72 POLB (0.57) POLBHTTMAPTALDH1A1TP53
SCHEMBL21246723 0.71 POLB (0.44) POLBHTTMAPTALDH1A1TP53
SCHEMBL718585 0.69 THRB (0.37) MAPTALDH1A1HPGDSMN1; SMN2GRM5
SCHEMBL3457084 0.69 POLB (0.61) POLBHTTALDH1A1HPGDNPSR1
SCHEMBL17774870 0.69 ALOX5 (0.54) POLBHTTMAPTALDH1A1HPGD
SCHEMBL388845 0.68 NPSR1 (0.50) POLBHTTMAPTALDH1A1TP53
SCHEMBL29829085 0.68 NPSR1 (0.50) POLBHTTMAPTALDH1A1TP53
SCHEMBL21262368 0.68 POLB (0.33) POLB
SCHEMBL21246678 0.68 POLB (0.44) POLBHTTMAPTSMN1; SMN2MEN1

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 3131/4885MAPT 2333/4885
US-20200331921-A1 INHIBITORS OF THE BCL6 BTB DOMAIN PROTEIN-PROTEIN INTERACTION AND USES THEREOF BCL6, BCL6B, BCL3 POLB 3681/4885HTT 3446/4885MAPT 2192/4885

“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.