SCHEMBL4059025

SCHEMBL4059025

CN1CCN(C(=O)c2ccc(-c3c(OC(=O)/C=C/C(=O)Oc4[nH]c5ccc([N+](=O)[O-])cc5c4-c4ccc(C(=O)N5CCN(C)CC5)cn4)[nH]c4ccc([N+](=O)[O-])cc34)nc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.42
FLT3 P36888 4/20 0.39
ALDH1A1 P00352 3/20 0.38
HPGD P15428 1/20 0.38
MGLL Q99685 1/20 0.37
BAZ2B Q9UIF8 1/20 0.37
NLRP3 Q96P20 1/20 0.37
TNFSF11 O14788 1/20 0.37
TNF P01375 1/20 0.37
PDE4D Q08499 1/20 0.37
FGFR1 P11362 1/20 0.37
FLT1 P17948 1/20 0.37
KDR P35968 1/20 0.37
KDM4E B2RXH2 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 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
SCHEMBL4029976 0.85 HRH4 (0.52) HRH4L3MBTL1FLT3ALDH1A1HPGD
Fumaric Acid SCHEMBL4059029 0.84 HRH4 (0.47) HRH4L3MBTL1FLT3ALDH1A1HPGD
Fumaric Acid SCHEMBL4059032 0.84 HRH4 (0.47) HRH4L3MBTL1FLT3ALDH1A1HPGD
Fumaric Acid SCHEMBL4059019 0.84 HRH4 (0.47) HRH4L3MBTL1FLT3ALDH1A1HPGD
SCHEMBL4061274 0.74 KDM4E (0.49) FLT3ALDH1A1HPGDKDM4E
SCHEMBL4065223 0.71 L3MBTL3 (0.49) L3MBTL1
SCHEMBL18092598 0.71 MAP2 (0.53) HRH4L3MBTL1ALDH1A1HPGD
Hydrochloric Acid SCHEMBL4060911 0.71 L3MBTL3 (0.48) L3MBTL1
SCHEMBL4057858 0.70 TLR9 (0.42) FLT3
Hydrochloric Acid SCHEMBL4060793 0.69 TLR9 (0.41) FLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1492785-B9 2-HYDROXY-3-HETEROARYLINDOLE DERIVATIVES AS GSK3 INHIBITORS ASTRAZENECA AB (SE) 2009-10-21 EP claimed
EP-1492785-B1 2-HYDROXY-3-HETEROARYLINDOLE DERIVATIVES AS GSK3 INHIBITORS ASTRAZENECA AB (SE) 2008-12-03 EP claimed
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 HRH4 1100/4885L3MBTL1 4876/4885FLT3 1688/4885
US-20050153987-A1 Compounds SDHA, CYP11B2, CYP11B1 HRH4 970/4885L3MBTL1 4869/4885FLT3 1457/4885

“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.