Fumaric Acid

Fumaric Acid

SCHEMBL4383653

C[C@@H]1CCCN1CCCN1CCN(CCCN2CCC[C@H]2C)C1=C(C#N)C#N.O=C(O)C=CC(=O)O.O=C(O)C=CC(=O)O

nearest known ligand 0.69

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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 7)

geneUniProtsupporting neighboursconfidence
HRH3 known ✓ Q9Y5N1 18/20 0.69
HRH1 known ✓ P35367 1/20 0.35
SCN1A P35498 1/20 0.38
SCN2A Q99250 1/20 0.38
SCN3A Q9NY46 1/20 0.38
ACHE P22303 1/20 0.36
HRH2 P25021 1/20 0.35

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 SCHEMBL4383647 1.00 HRH3 (0.69) HRH3SCN1ASCN2ASCN3AACHE
Fumaric Acid SCHEMBL4383651 1.00 HRH3 (0.69) HRH3SCN1ASCN2ASCN3AACHE
SCHEMBL4394487 0.90 HRH3 (0.84) HRH3ACHEHRH2HRH1
SCHEMBL13788001 0.90 HRH3 (0.84) HRH3ACHEHRH2HRH1
SCHEMBL13788000 0.90 HRH3 (0.84) HRH3ACHEHRH2HRH1
SCHEMBL4389729 0.90 HRH3 (0.84) HRH3ACHEHRH2HRH1
SCHEMBL4384272 0.88 HRH3 (0.80) HRH3ACHEHRH2HRH1
SCHEMBL4383396 0.88 HRH3 (0.80) HRH3ACHEHRH2HRH1
SCHEMBL4391516 0.88 HRH3 (0.89) HRH3HRH2HRH1
SCHEMBL4385839 0.88 HRH3 (0.89) HRH3HRH2HRH1

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-20090181948-A1 DIAMINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-07-16 US disclosed
EP-1847530-A1 DIAMINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-10-24 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-20090181948-A1 DIAMINE DERIVATIVE ARG1, PRMT5, PRMT1 HRH3 452/4885HRH1 547/4885SCN1A 4418/4885

“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.