SCHEMBL4066329

SCHEMBL4066329

CN(CCN1CCCC1)S(=O)(=O)c1ccc(Cl)nc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.61
ALDH1A1 P00352 5/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
MAPT P10636 1/20 0.51
POLB P06746 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
CYP2D6 P10635 1/20 0.48
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SRC P12931 3/20 0.44
CXCR4 P61073 2/20 0.43
ABL1 P00519 1/20 0.42

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
SCHEMBL14468188 0.78 SIGMAR1 (0.74) SIGMAR1ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL2339366 0.78 ALDH1A1 (0.41) SIGMAR1ALDH1A1MEN1KMT2AMAPT
SCHEMBL14445631 0.77 SIGMAR1 (0.69) SIGMAR1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL2569770 0.77 MAPT (0.61) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL4271065 0.77 SIGMAR1 (0.97) SIGMAR1ALDH1A1SRCCXCR4
SCHEMBL5149238 0.76 SIGMAR1 (0.72) SIGMAR1KMT2ASRCCXCR4
SCHEMBL12077838 0.76 MAPT (0.73) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL3182368 0.76 ALDH1A1 (0.70) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL3193135 0.75 SIGMAR1 (0.62) SIGMAR1ALDH1A1MEN1KMT2AMAPT
SCHEMBL3191393 0.75 POLB (0.74) ALDH1A1MEN1KMT2AMAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1961748-A2 2-hydroxy-3-heteroarylindole derivatives as GSK3 inhibitors AstraZeneca AB (SE) 2008-08-27 EP claimed
US-20050153987-A1 Compounds ASTRAZENECA AB (SE) 2005-07-14 US claimed
EP-1492785-A1 NEW COMPOUNDS AstraZeneca AB (SE) 2005-01-05 EP claimed
WO-2003082853-A1 NEW COMPOUNDS ASTRAZENECA AB (SE) 2003-10-09 WO claimed
EP-1492785-B9 2-HYDROXY-3-HETEROARYLINDOLE DERIVATIVES AS GSK3 INHIBITORS ASTRAZENECA AB (SE) 2009-10-21 EP disclosed
US-20090149460-A1 New Compounds BERG STEFAN 2009-06-11 US disclosed
EP-1492785-B1 2-HYDROXY-3-HETEROARYLINDOLE DERIVATIVES AS GSK3 INHIBITORS ASTRAZENECA AB (SE) 2008-12-03 EP disclosed
EP-1961748-A2 2-hydroxy-3-heteroarylindole derivatives as GSK3 inhibitors AstraZeneca AB (SE) 2008-08-27 EP disclosed
US-7399780-B2 3-Heterocyclyl-indole inhibitors of glycogen synthase kinase-3 ASTRAZENECA AB (SE) 2008-07-15 US disclosed
US-20050153987-A1 Compounds ASTRAZENECA AB (SE) 2005-07-14 US disclosed
EP-1492785-A1 NEW COMPOUNDS AstraZeneca AB (SE) 2005-01-05 EP disclosed
WO-2003082853-A1 NEW COMPOUNDS ASTRAZENECA AB (SE) 2003-10-09 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-20090149460-A1 New Compounds SDHA, CYP11B2, SERPINB1 SIGMAR1 2027/4885ALDH1A1 275/4885MEN1 1000/4885
US-20050153987-A1 Compounds SDHA, CYP11B2, CYP11B1 SIGMAR1 1364/4885ALDH1A1 228/4885MEN1 868/4885

“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.