Fumaric Acid

Fumaric Acid

SCHEMBL4121205

CC(C)COc1ccc2c(CCC3CCN(Cc4ccccc4)CC3)noc2c1CN(C)C.O=C(O)/C=C/C(=O)O.O=C(O)/C=C/C(=O)O

nearest known ligand 0.54

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 12)

geneUniProtsupporting neighboursconfidence
DRD2 known ✓ P14416 1/20 0.43
ACHE P22303 19/20 0.54
BCHE P06276 4/20 0.54
GMNN O75496 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43
PMP22 Q01453 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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 SCHEMBL4121212 1.00 ACHE (0.54) ACHEBCHEGMNNALDH1A1LMNA
SCHEMBL4127386 0.94 ACHE (0.59) ACHEBCHE
Fumaric Acid SCHEMBL4127431 0.89 ACHE (0.43) ACHEBCHE
Fumaric Acid SCHEMBL4127436 0.89 ACHE (0.43) ACHEBCHE
Fumaric Acid SCHEMBL4124922 0.88 ACHE (0.40) ACHEBCHE
Fumaric Acid SCHEMBL4124917 0.88 ACHE (0.40) ACHEBCHE
SCHEMBL4127330 0.85 ACHE (0.62) ACHEBCHE
SCHEMBL4124695 0.85 ACHE (0.61) ACHEBCHE
Hydrochloric Acid SCHEMBL4131449 0.85 ACHE (0.61) ACHEBCHE
SCHEMBL4130315 0.85 ACHE (0.61) 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 DRD2 741/4885ACHE 3716/4885BCHE 2215/4885

“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.