Fumaric Acid

Fumaric Acid

SCHEMBL4113063

CN(C)Cc1c(-c2cccc(C#N)c2)ccc2c(CCC3CCN(CC4OCCO4)CC3)noc12.O=C(O)/C=C/C(=O)O

nearest known ligand 0.42

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 7)

geneUniProtsupporting neighboursconfidence
ACHE P22303 12/20 0.42
BCHE P06276 4/20 0.41
MCHR1 Q99705 2/20 0.34
HRH3 Q9Y5N1 2/20 0.34
CHRM4 P08173 2/20 0.33
USP30 Q70CQ3 2/20 0.33
LRRK2 Q5S007 1/20 0.33

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 SCHEMBL4113071 1.00 ACHE (0.42) ACHEBCHEMCHR1HRH3CHRM4
SCHEMBL4112608 0.94 ACHE (0.44) ACHEBCHEMCHR1HRH3USP30
Fumaric Acid SCHEMBL4113654 0.90 ACHE (0.45) ACHEBCHE
Fumaric Acid SCHEMBL4113650 0.90 ACHE (0.45) ACHEBCHE
Fumaric Acid SCHEMBL4113068 0.88 ACHE (0.43) ACHEBCHECHRM4USP30
Fumaric Acid SCHEMBL4119050 0.88 ACHE (0.42) ACHEBCHE
Fumaric Acid SCHEMBL4119045 0.88 ACHE (0.42) ACHEBCHE
SCHEMBL4113344 0.87 ACHE (0.44) ACHEBCHEMCHR1HRH3CHRM4
Fumaric Acid SCHEMBL4127558 0.86 ACHE (0.43) ACHEBCHE
Fumaric Acid SCHEMBL4127553 0.86 ACHE (0.43) ACHEBCHE

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 ACHE 3716/4885BCHE 2215/4885MCHR1 208/4885

“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.