Fumaric Acid

Fumaric Acid

SCHEMBL6838538

NCC(=O)NCCn1c(-c2ccc[nH]2)nc2c(C(F)(F)F)nc3ccccc3c21.O=C(O)C=CC(=O)O

nearest known ligand 0.35

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
ATP4A known ✓ P20648 1/20 0.31
ATP4B known ✓ P51164 1/20 0.31
MEN1 known ✓ O00255 1/20 0.30
KMT2A known ✓ Q03164 1/20 0.30
CYP3A4 P08684 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
TP53 P04637 2/20 0.32
ALDH1A1 P00352 3/20 0.32
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PKM P14618 1/20 0.32
CACNA1H O95180 1/20 0.31
TLR7 Q9NYK1 3/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
LMNA P02545 1/20 0.30
TLR8 Q9NR97 1/20 0.30
TSHR P16473 2/20 0.30
RXFP1 Q9HBX9 1/20 0.30

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 SCHEMBL6838537 1.00 CYP3A4 (0.33) CYP3A4CYP2C9CYP2C19TP53ALDH1A1
SCHEMBL6838731 0.96 CYP3A4 (0.35) CYP3A4CYP2C9CYP2C19TP53ALDH1A1
Fumaric Acid SCHEMBL6833838 0.91 CYP2C9 (0.34) CYP3A4CYP2C9CYP2C19TP53ALDH1A1
Fumaric Acid SCHEMBL6833836 0.91 CYP2C9 (0.34) CYP3A4CYP2C9CYP2C19TP53ALDH1A1
SCHEMBL6833994 0.88 CYP3A4 (0.35) CYP3A4CYP2C9CYP2C19TP53ALDH1A1
SCHEMBL6837751 0.88 CYP3A4 (0.37) CYP3A4CYP2C9CYP2C19TP53ALDH1A1
SCHEMBL6837765 0.86 CYP2C9 (0.36) CYP3A4CYP2C9CYP2C19TP53ALDH1A1
SCHEMBL6833826 0.84 AVPR1B (0.39) CYP2C9CYP2C19ALDH1A1HTTL3MBTL1
SCHEMBL6833990 0.82
SCHEMBL6833754 0.81 TLR7 (0.34) TLR7TLR8

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-20040054182-A1 1h-imidazopyridine derivatives HOKURIKU SEIYAKU CO., LTD. (JP) 2004-03-18 US disclosed
EP-1256582-A1 1H-IMIDAZOPYRIDINE DERIVATIVES HOKURIKU SEIYAKU CO., LTD. (JP) 2002-11-13 EP 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-20040054182-A1 1h-imidazopyridine derivatives IL2, IL1A, IL4 ATP4A 2043/4885ATP4B 3640/4885MEN1 2204/4885

“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.