SCHEMBL4058689

SCHEMBL4058689

[O-][n+]1cc(CN2CCC(N3CCCC3)CC2)ccc1Cl

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 10/20 0.55
L3MBTL1 Q9Y468 10/20 0.55
MBTD1 Q05BQ5 4/20 0.52
TP53BP1 Q12888 2/20 0.44
HRH3 Q9Y5N1 4/20 0.43
RECQL P46063 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL4063051 0.85 HRH3 (0.57) L3MBTL3L3MBTL1MBTD1HRH3SMN1; SMN2
SCHEMBL3183618 0.84 HRH3 (0.60) L3MBTL3L3MBTL1MBTD1HRH3SMN1; SMN2
SCHEMBL4058468 0.82 HRH3 (0.52) L3MBTL3L3MBTL1MBTD1HRH3SMN1; SMN2
SCHEMBL4056900 0.82 HRH3 (0.59) HRH3ALDH1A1
SCHEMBL10264415 0.78 L3MBTL3 (0.65) L3MBTL3L3MBTL1MBTD1TP53BP1HRH3
SCHEMBL13222431 0.77 L3MBTL3 (0.63) L3MBTL3L3MBTL1MBTD1TP53BP1HRH3
SCHEMBL3194408 0.77 LMNA (0.56) HRH3ALDH1A1
SCHEMBL477889 0.76 HRH3 (0.57) HRH3SMN1; SMN2ALDH1A1
SCHEMBL3857989 0.75 L3MBTL3 (0.65) L3MBTL3L3MBTL1MBTD1TP53BP1HRH3
SCHEMBL15759135 0.75 L3MBTL3 (0.65) L3MBTL3L3MBTL1MBTD1TP53BP1HRH3

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 L3MBTL3 4885/4885L3MBTL1 4876/4885MBTD1 4340/4885
US-20050153987-A1 Compounds SDHA, CYP11B2, CYP11B1 L3MBTL3 4883/4885L3MBTL1 4869/4885MBTD1 4593/4885

“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.