Fumaric Acid

Fumaric Acid

SCHEMBL4059032

CN1CCN(C(=O)c2ccc(-c3c(O)[nH]c4ccc([N+](=O)[O-])cc34)nc2)CC1.O=C(O)C=CC(=O)O

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ATP4AATP4BAXLBTKCACNA1CCACNA1DCACNA1FCACNA1SCCR5CHRM2CHRM3CPT1BCPT2DPP4DRD1DRD2EGFRERBB2ERBB4FLT3HRH1HRH3HTR1AHTR2AHTR2BHTR2CHTR4JAK1JAK2JAK3KCNH2KMT2AMAP2K1MAP2K2MEN1MLNRMPLMTORPPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PLK4PPARGRENS1PR1SLC6A2SLC6A3SLC6A4SMOTYK2atpAatpBatpCatpDatpEatpFatpFHatpGpol

The experimentally established mechanism targets of Fumaric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 known ✓ P36888 6/20 0.42
HRH4 Q9H3N8 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.43
FGFR1 P11362 1/20 0.42
FLT1 P17948 1/20 0.42
KDR P35968 1/20 0.42
CCNE1 P24864 3/20 0.39
CDK2 P24941 3/20 0.39
CDK5 Q00535 2/20 0.39
CDK5R1 Q15078 2/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
ALOX15 P16050 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
MET P08581 1/20 0.38
ALK Q9UM73 1/20 0.38
BAZ2B Q9UIF8 1/20 0.38
IKBKB O14920 1/20 0.38
AURKA O14965 1/20 0.38

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
Fumaric Acid SCHEMBL4059029 1.00 HRH4 (0.47) HRH4L3MBTL1FGFR1FLT1KDR
Fumaric Acid SCHEMBL4059019 1.00 HRH4 (0.47) HRH4L3MBTL1FGFR1FLT1KDR
SCHEMBL4029976 0.95 HRH4 (0.52) HRH4L3MBTL1FGFR1FLT1KDR
SCHEMBL4061274 0.84 KDM4E (0.49) FLT3CCNE1CDK2CDK5CDK5R1
SCHEMBL4059025 0.84 HRH4 (0.46) HRH4L3MBTL1FGFR1FLT1KDR
SCHEMBL4065223 0.80 L3MBTL3 (0.49) L3MBTL1CDK5CDK5R1GSK3AGSK3B
Hydrochloric Acid SCHEMBL4060911 0.80 L3MBTL3 (0.48) L3MBTL1CDK5CDK5R1GSK3AGSK3B
SCHEMBL4065913 0.79 MAPT (0.51) FLT3CCNE1CDK2CDK5CDK5R1
SCHEMBL4065919 0.79 MAPT (0.51) FLT3CCNE1CDK2CDK5CDK5R1
SCHEMBL4057858 0.79 TLR9 (0.42) FLT3CCNE1CDK2CDK5CDK5R1

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 FLT3 1688/4885HRH4 1100/4885L3MBTL1 4876/4885
US-20050153987-A1 Compounds SDHA, CYP11B2, CYP11B1 FLT3 1457/4885HRH4 970/4885L3MBTL1 4869/4885

“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.