SCHEMBL13362124

SCHEMBL13362124

CN1C(=O)/C(=C2\SC(=S)N(CCC(=O)O)C2=O)c2cc(Br)ccc21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.64
MAPT P10636 4/20 0.62
DUSP3 P51452 2/20 0.62
CTDSP1 Q9GZU7 2/20 0.62
MCL1 Q07820 1/20 0.62
APEX1 P27695 4/20 0.57
ALDH1A1 P00352 3/20 0.52
HSD17B10 Q99714 3/20 0.52
HPGD P15428 3/20 0.52
KDM4E B2RXH2 2/20 0.52
ALOX15 P16050 2/20 0.52
MAPK1 P28482 1/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
PTPN7 P35236 2/20 0.51
CACNA1B Q00975 2/20 0.51
APBA1 Q02410 2/20 0.51
PTPN22 Q9Y2R2 2/20 0.51
PTPN12 Q05209 1/20 0.51
NLRP3 Q96P20 1/20 0.49

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
SCHEMBL4551870 0.84 PIM1 (0.63) PIM1MAPTDUSP3CTDSP1MCL1
SCHEMBL4551871 0.84 PIM1 (0.63) PIM1MAPTDUSP3CTDSP1MCL1
SCHEMBL4551869 0.84 PIM1 (0.63) PIM1MAPTDUSP3CTDSP1MCL1
SCHEMBL16322180 0.80 APEX1 (0.51) PIM1MAPTDUSP3CTDSP1MCL1
SCHEMBL16322182 0.80 APEX1 (0.51) PIM1MAPTDUSP3CTDSP1MCL1
SCHEMBL16322183 0.80 APEX1 (0.51) PIM1MAPTDUSP3CTDSP1MCL1
SCHEMBL17830707 0.80 APEX1 (0.61) MAPTDUSP3CTDSP1MCL1APEX1
SCHEMBL13586997 0.79 KAT2B (0.65) MAPTDUSP3CTDSP1MCL1APEX1
SCHEMBL13362135 0.74 APEX1 (0.52) MAPTDUSP3CTDSP1MCL1APEX1
SCHEMBL17830703 0.73 MEN1 (0.70) MAPTDUSP3CTDSP1MCL1APEX1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338464-B2 Small molecule inhibitors of BCL6 ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2012-12-25 US disclosed
US-20100130564-A1 SMALL MOLECULE INHIBITORS OF BCL6 ALBERT EINSTEIN COLLEGE OF MEDICINE 2010-05-27 US disclosed
WO-2008066887-A2 SMALL MOLECULE INHIBITORS OF BCL6 ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2008-06-05 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 (1 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-20100130564-A1 SMALL MOLECULE INHIBITORS OF BCL6 BCL6, BCL6B, BCOR PIM1 2095/4885MAPT 4565/4885DUSP3 869/4885

“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.