SCHEMBL4061503

SCHEMBL4061503

CN(Cc1ccc(Cl)[n+]([O-])c1)Cc1ccco1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.39
TSHR P16473 3/20 0.39
TP53 P04637 3/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
GAA P10253 1/20 0.39
POLB P06746 2/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 2/20 0.37
LMNA P02545 2/20 0.37
KDM4E B2RXH2 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
RECQL P46063 1/20 0.37
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
GFER P55789 1/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL4062448 0.78 PYCR1 (0.47) TSHRALDH1A1HTTLMNAKDM4E
SCHEMBL28948440 0.75 KDM4E (0.51) BACE1TP53ALDH1A1MAPTPOLB
SCHEMBL27601595 0.75 CNR1 (0.44) TSHRTP53ALDH1A1MAPTGAA
SCHEMBL17921496 0.73 POLB (0.58) TSHRTP53ALDH1A1MAPTPOLB
SCHEMBL16523570 0.73 TSHR (0.51) BACE1TSHRALDH1A1MAPTGAA
SCHEMBL16523638 0.72 PYCR1 (0.47) BACE1TP53ALDH1A1MAPTPOLB
SCHEMBL2274710 0.72 MAPT (0.56) BACE1TSHRTP53ALDH1A1MAPT
SCHEMBL16523575 0.72 KDM4E (0.48) BACE1TSHRTP53MAPTPOLB
SCHEMBL4059144 0.70 CRHBP (0.48) TSHRHTTL3MBTL1
SCHEMBL12911312 0.69 CA2 (0.42) TSHRTP53ALDH1A1POLBHTT

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 13 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
CN-1923812-A New compounds ASTRAZENECA AB (SE) 2007-03-07 CN claimed
CN-1642938-A Novel compounds ASTRAZENECA AB (SE) 2005-07-20 CN claimed
US-20050153987-A1 Compounds ASTRAZENECA AB (SE) 2005-07-14 US claimed
EP-1492785-B9 2-HYDROXY-3-HETEROARYLINDOLE DERIVATIVES AS GSK3 INHIBITORS ASTRAZENECA AB (SE) 2009-10-21 EP disclosed
CN-100519550-C 2-oxoindole compounds having inhibitory activity on glycogen synthase kinase 3 receptor ASTRAZENECA AB SE (SE) 2009-07-29 CN 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
CN-1923812-A New compounds ASTRAZENECA AB (SE) 2007-03-07 CN disclosed
CN-1642938-A Novel compounds ASTRAZENECA AB (SE) 2005-07-20 CN disclosed
US-20050153987-A1 Compounds ASTRAZENECA AB (SE) 2005-07-14 US 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 BACE1 159/4885TSHR 4193/4885TP53 1749/4885
US-20050153987-A1 Compounds SDHA, CYP11B2, CYP11B1 BACE1 211/4885TSHR 4259/4885TP53 1790/4885

“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.