SCHEMBL3159752

SCHEMBL3159752

Nc1ccc2c(c1)Cc1cccc(Br)c1S2

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BLM P54132 1/20 0.46
MAPT P10636 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 2/20 0.41
LMNA P02545 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
IDO1 P14902 1/20 0.32
ATM Q13315 3/20 0.31
PRKDC P78527 1/20 0.30
PIK3C3 Q8NEB9 1/20 0.30

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
SCHEMBL13451292 0.81 BLM (0.46) BLMMAPTMEN1KMT2ANPC1
SCHEMBL13113891 0.81 BLM (0.46) BLMMAPTMEN1KMT2ANPC1
SCHEMBL2763031 0.78 BLM (0.43) BLMMAPTMEN1KMT2ANPC1
SCHEMBL3160546 0.76 MEN1 (0.40) MAPTMEN1KMT2ANPC1LMNA
SCHEMBL27645340 0.74 ATM (0.42) KMT2ANPC1LMNARAB9ASMN1; SMN2
SCHEMBL3163268 0.72 MEN1 (0.39) BLMMAPTMEN1KMT2AKDM4E
SCHEMBL4936881 0.71 BLM (0.54) BLMMAPTMEN1KMT2ANPC1
SCHEMBL5545887 0.69 ALDH1A1 (0.34) MEN1KMT2AALDH1A1
SCHEMBL17025412 0.68 BLM (0.51) BLMMAPTMEN1KMT2ANPC1
Thioxanthene SCHEMBL10514224 0.66 MEN1 (0.61) BLMMAPTMEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1654257-B1 AMINOPYRONES AND THEIR USE AS ATM INHIBITORS KUDOS PHARM LTD (GB) 2010-03-17 EP disclosed
US-20090043091-A1 Induce immunology response; anticancer agents; 6-(6-Morpholin-4-yl-4-oxo-4H-pyran-2-yl)-thianthrene-2-carboxylate sodium salt; 6-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-thianthrene-2-carboxylic acid methyl ester KUDOS PHARMACEUTICALS LIMITED (GB) 2009-02-12 US disclosed
US-20090043091-A1 Induce immunology response; anticancer agents; 6-(6-Morpholin-4-yl-4-oxo-4H-pyran-2-yl)-thianthrene-2-carboxylate sodium salt; 6-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-thianthrene-2-carboxylic acid methyl ester KUDOS PHARMACEUTICALS LIMITED (GB) 2009-02-12 US disclosed
US-20090043091-A1 Induce immunology response; anticancer agents; 6-(6-Morpholin-4-yl-4-oxo-4H-pyran-2-yl)-thianthrene-2-carboxylate sodium salt; 6-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-thianthrene-2-carboxylic acid methyl ester KUDOS PHARMACEUTICALS LIMITED (GB) 2009-02-12 US disclosed
US-7429660-B2 ATM inhibitors KUDOS PHARMACEUTICALS LIMITED (GB) 2008-09-30 US disclosed
US-7429660-B2 ATM inhibitors KUDOS PHARMACEUTICALS LIMITED (GB) 2008-09-30 US disclosed
US-7429660-B2 ATM inhibitors KUDOS PHARMACEUTICALS LIMITED (GB) 2008-09-30 US disclosed
EP-1654257-A1 AMINOPYRONES AND THEIR USE AS ATM INHIBITORS Kudos Pharmaceuticals Limited (GB) 2006-05-10 EP disclosed
US-20050054657-A1 ATM inhibitors KUDOS PHARMACEUTICALS LIMITED (GB) 2005-03-10 US disclosed
WO-2005016919-A1 AMINOPYRONES AND THEIR USE AS ATM INHIBITORS KUDOS PHARMACEUTICALS LIMITED (GB) 2005-02-24 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-20090043091-A1 Induce immunology response; anticancer agents; 6-(6-Morpholin-4-yl-4-oxo-4H-pyran-2-yl)-thianthrene-2-carboxylate sodium salt; 6-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-thianthrene-2-carboxylic acid methyl ester MYD88, MCL1, TLR1 BLM 4699/4885MAPT 4311/4885MEN1 865/4885
US-20050054657-A1 ATM inhibitors ATM, ATR, CHEK2 BLM 64/4885MAPT 1236/4885MEN1 589/4885

“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.