Fumaric Acid

Fumaric Acid

SCHEMBL4126536

CNCc1c(N(C)Cc2ccc(C#N)cc2)ccc2c(CCC3CCN(CC4OCCO4)CC3)noc12.O=C(O)/C=C/C(=O)O.O=C(O)/C=C/C(=O)O

nearest known ligand 0.40

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 8)

geneUniProtsupporting neighboursconfidence
SLC6A2 known ✓ P23975 1/20 0.33
SLC6A4 known ✓ P31645 1/20 0.33
ACHE P22303 13/20 0.40
BCHE P06276 4/20 0.40
CHRM4 P08173 2/20 0.33
MAOA P21397 2/20 0.32
MAOB P27338 2/20 0.32
TACR3 P29371 1/20 0.32

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
SCHEMBL4126170 0.95 ACHE (0.42) ACHEBCHECHRM4MAOAMAOB
Fumaric Acid SCHEMBL4120236 0.93 ACHE (0.41) ACHEBCHECHRM4SLC6A2SLC6A4
SCHEMBL4121359 0.88 ACHE (0.43) ACHEBCHECHRM4MAOAMAOB
Fumaric Acid SCHEMBL4126539 0.87 ACHE (0.41) ACHEBCHECHRM4MAOAMAOB
Fumaric Acid SCHEMBL4126533 0.87 ACHE (0.41) ACHEBCHECHRM4MAOAMAOB
Fumaric Acid SCHEMBL4120242 0.85 ACHE (0.40) ACHEBCHECHRM4SLC6A2SLC6A4
Fumaric Acid SCHEMBL4120233 0.85 ACHE (0.40) ACHEBCHECHRM4SLC6A2SLC6A4
SCHEMBL4122328 0.85 ACHE (0.42) ACHEBCHECHRM4MAOAMAOB
Fumaric Acid SCHEMBL4134229 0.83 ACHE (0.40) ACHEBCHECHRM4MAOAMAOB
Fumaric Acid SCHEMBL4134234 0.83 ACHE (0.40) ACHEBCHECHRM4MAOAMAOB

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-20090318690-A1 Benzisoxazole Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-12-24 US disclosed
EP-2017275-A1 BENZISOXAZOLE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2009-01-21 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-20090318690-A1 Benzisoxazole Compound NR1I2, NR1I3, NR0B1 SLC6A2 1758/4885SLC6A4 1398/4885ACHE 3716/4885

“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.