Fumaric Acid

Fumaric Acid

SCHEMBL2884145

O=C(O)C=CC(=O)O.O=C(c1ccc(Cc2nc3ccccc3[nH]2)cc1)N1CCC(N2CCCC2)C1

nearest known ligand 0.65

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 17)

geneUniProtsupporting neighboursconfidence
HRH3 known ✓ Q9Y5N1 10/20 0.56
HTR2B known ✓ P41595 4/20 0.52
HPGD P15428 1/20 0.65
L3MBTL3 Q96JM7 4/20 0.49
L3MBTL1 Q9Y468 4/20 0.49
MBTD1 Q05BQ5 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44

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 SCHEMBL2884143 1.00 HPGD (0.65) HPGDHRH3HTR2BL3MBTL3L3MBTL1
SCHEMBL2884189 0.95 HPGD (0.72) HPGDHRH3HTR2BL3MBTL3L3MBTL1
SCHEMBL2885056 0.95 HPGD (0.72) HPGDHRH3HTR2BL3MBTL3L3MBTL1
SCHEMBL2884111 0.94 HPGD (0.74) HPGDHRH3HTR2BL3MBTL3L3MBTL1
SCHEMBL2881213 0.81 HPGD (0.71) HPGDHTR2BHDAC3HDAC4HDAC1
Fumaric Acid SCHEMBL2886362 0.79 HRH3 (0.64) HPGDHRH3L3MBTL3L3MBTL1MBTD1
Fumaric Acid SCHEMBL2886359 0.79 HRH3 (0.64) HPGDHRH3L3MBTL3L3MBTL1MBTD1
SCHEMBL2884997 0.79 L3MBTL3 (0.71) HRH3L3MBTL3L3MBTL1MBTD1
SCHEMBL4765933 0.79 L3MBTL3 (0.71) HRH3L3MBTL3L3MBTL1MBTD1
Fumaric Acid SCHEMBL2884399 0.78 HRH3 (0.56) HPGDHRH3L3MBTL3L3MBTL1MBTD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7820825-B2 N-substituted-azacyclylamines as histamine-3 antagonists WYETH LLC (US) 2010-10-26 US disclosed
US-20070219240-A1 N-substituted-azacyclylamines as histamine-3 antagonists WYETH (US) 2007-09-20 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 (1 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-20070219240-A1 N-substituted-azacyclylamines as histamine-3 antagonists HNMT, HRH4, HRH3 HRH3 3/4885HTR2B 36/4885HPGD 508/4885

“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.