Fumaric Acid

Fumaric Acid

SCHEMBL5250786

COc1ccc2c(c1)CN(CC1CCN(CC(=O)c3ccccc3)CC1)C2=O.O=C(O)/C=C/C(=O)O

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADRB1ADRB2ATP4AATP4BAXLCHRM2CHRM3DRD2FLT3HRH1HTR2AHTR2BHTR2CKCNH2KMT2AMAP2K1MAP2K2MEN1MLNRPLK4RENS1PR1SLC6A2SLC6A4atpAatpBatpCatpDatpEatpFatpFHatpGpol

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 14)

geneUniProtsupporting neighboursconfidence
HTR2A known ✓ P28223 1/20 0.58
MEN1 known ✓ O00255 1/20 0.41
KMT2A known ✓ Q03164 1/20 0.41
HTR1A P08908 1/20 0.58
TMEM97 Q5BJF2 1/20 0.58
APP P05067 1/20 0.42
ADAM17 P78536 1/20 0.42
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 1/20 0.42
ACHE P22303 1/20 0.41
GRIN1 Q05586 1/20 0.40
GRIN2B Q13224 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40

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 SCHEMBL5250791 1.00 HTR1A (0.58) HTR1AHTR2ATMEM97APPADAM17
SCHEMBL5248301 0.95 HTR1A (0.62) HTR1AHTR2ATMEM97APPADAM17
Fumaric Acid SCHEMBL5253230 0.90 HTR1A (0.61) HTR1AHTR2ATMEM97MEN1KMT2A
Fumaric Acid SCHEMBL5253226 0.90 HTR1A (0.61) HTR1AHTR2ATMEM97MEN1KMT2A
SCHEMBL5257421 0.86 HTR2A (0.71) HTR1AHTR2ATMEM97
Hydrochloric Acid SCHEMBL5249080 0.86 HTR2A (0.70) HTR1AHTR2ATMEM97
SCHEMBL5253797 0.84 HTR1A (0.76) HTR1AHTR2ATMEM97ACHEGRIN1
SCHEMBL5249165 0.84 HTR1A (0.67) HTR1AHTR2ATMEM97MEN1KMT2A
Hydrochloric Acid SCHEMBL5247921 0.83 HTR1A (0.75) HTR1AHTR2ATMEM97KMT2AACHE
Fumaric Acid SCHEMBL5247982 0.81 HTR1A (0.64) HTR1AHTR2ATMEM97ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1260512-B1 NOVEL CYCLIC AMIDE DERIVATIVES MITSUBISHI PHARMA CORP (JP) 2007-07-04 EP disclosed
US-7166617-B2 Cyclic amide derivatives MITSUBISHI PHARMA CORPORATION (JP) 2007-01-23 US disclosed
US-20030212094-A1 Novel cyclic amide derivatives MITSUBISHI PHARMA CORPORATION (JP) 2003-11-13 US disclosed
EP-1260512-A1 NOVEL CYCLIC AMIDE DERIVATIVES Mitsubishi Pharma Corporation (JP) 2002-11-27 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-20030212094-A1 Novel cyclic amide derivatives SIGMAR1, OPRM1, OPRD1 HTR2A 153/4885MEN1 4834/4885KMT2A 2651/4885

“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.