Fumaric Acid

Fumaric Acid

SCHEMBL6045576

CC(=O)N(c1ccccc1)C1(c2nc(C)cs2)CCN(Cc2ccccc2)CC1.O=C(O)C=CC(=O)O

nearest known ligand 0.43

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 14)

geneUniProtsupporting neighboursconfidence
HTR2A known ✓ P28223 8/20 0.40
HTR2C known ✓ P28335 8/20 0.40
HTR2B known ✓ P41595 8/20 0.40
DRD2 known ✓ P14416 6/20 0.40
CHRM2 known ✓ P08172 1/20 0.38
CHRM3 known ✓ P20309 1/20 0.38
SIGMAR1 Q99720 9/20 0.41
CYP2D6 P10635 2/20 0.40
ACHE P22303 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
ALDH1A1 P00352 2/20 0.37
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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 SCHEMBL6045570 1.00 SIGMAR1 (0.41) SIGMAR1HTR2AHTR2CHTR2BDRD2
SCHEMBL6045421 0.95 CYP2D6 (0.44) SIGMAR1CYP2D6ACHECHRM2CHRM3
Oxalic Acid SCHEMBL6045529 0.93 CYP2D6 (0.42) SIGMAR1CYP2D6ACHECHRM2CHRM3
SCHEMBL6045538 0.90 CYP3A4 (0.42) CYP2D6ACHEALDH1A1
SCHEMBL6045636 0.90 DRD4 (0.44) SIGMAR1DRD2CYP2D6CHRM2CHRM3
SCHEMBL6045705 0.89 ACHE (0.41) CYP2D6ACHE
SCHEMBL6045684 0.88 CHRM2 (0.47) SIGMAR1DRD2ACHECHRM2CHRM3
SCHEMBL6045562 0.88 CHRM2 (0.43) CYP2D6ACHECHRM2CHRM3ALDH1A1
SCHEMBL6045524 0.87 CHRM2 (0.44) SIGMAR1DRD2CYP2D6ACHECHRM2
SCHEMBL6045697 0.87 POLB (0.42) SIGMAR1CYP2D6CHRM2ALDH1A1

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-20060252797-A1 Receptor regulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-11-09 US disclosed
EP-1559428-A1 RECEPTOR REGULATOR Takeda Pharmaceutical Company Limited (JP) 2005-08-03 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-20060252797-A1 Receptor regulator NMUR1, NMUR2, NMBR HTR2A 521/4885HTR2C 712/4885HTR2B 472/4885

“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.