Fumaric Acid

Fumaric Acid

SCHEMBL6833838

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

nearest known ligand 0.34

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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
MEN1 known ✓ O00255 1/20 0.31
KMT2A known ✓ Q03164 1/20 0.31
CYP2C9 P11712 3/20 0.34
CYP2C19 P33261 3/20 0.34
CYP3A4 P08684 2/20 0.34
TP53 P04637 2/20 0.33
ALDH1A1 P00352 4/20 0.33
PKM P14618 1/20 0.32
CHUK O15111 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
TSHR P16473 2/20 0.31
HTT P42858 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
LMNA P02545 2/20 0.31
NPC1 O15118 1/20 0.31
POLB P06746 1/20 0.31
NPSR1 Q6W5P4 2/20 0.31
MAPT P10636 1/20 0.31
GLA P06280 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 SCHEMBL6833836 1.00 CYP2C9 (0.34) CYP2C9CYP2C19CYP3A4TP53ALDH1A1
SCHEMBL6837765 0.96 CYP2C9 (0.36) CYP2C9CYP2C19CYP3A4TP53ALDH1A1
Fumaric Acid SCHEMBL6838537 0.91 CYP3A4 (0.33) CYP2C9CYP2C19CYP3A4TP53ALDH1A1
Fumaric Acid SCHEMBL6838538 0.91 CYP3A4 (0.33) CYP2C9CYP2C19CYP3A4TP53ALDH1A1
Fumaric Acid SCHEMBL6838681 0.89 MTNR1A (0.37) CYP2C9CYP2C19CYP3A4ALDH1A1CHUK
Fumaric Acid SCHEMBL6838685 0.89 MTNR1A (0.37) CYP2C9CYP2C19CYP3A4ALDH1A1CHUK
SCHEMBL6837751 0.88 CYP3A4 (0.37) CYP2C9CYP2C19CYP3A4TP53ALDH1A1
SCHEMBL6833994 0.87 CYP3A4 (0.35) CYP2C9CYP2C19CYP3A4TP53ALDH1A1
SCHEMBL6838731 0.86 CYP3A4 (0.35) CYP2C9CYP2C19CYP3A4TP53ALDH1A1
SCHEMBL6838145 0.84 MTNR1A (0.39) CYP2C9CYP2C19CYP3A4ALDH1A1CHUK

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 MEN1 2204/4885KMT2A 2512/4885CYP2C9 1752/4885

“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.