Fumaric Acid

Fumaric Acid

SCHEMBL4220532

COc1ccc(CNC(C(=O)NCc2ccccc2)c2ccccc2)cc1.O=C(O)C=CC(=O)O

nearest known ligand 0.60

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 12)

geneUniProtsupporting neighboursconfidence
KMT2A known ✓ Q03164 3/20 0.53
MEN1 known ✓ O00255 1/20 0.49
NPC1 O15118 3/20 0.53
CASR P41180 1/20 0.53
ADRB3 P13945 1/20 0.52
ALDH1A1 P00352 5/20 0.49
PLA2G1B P04054 1/20 0.49
ATG4B Q9Y4P1 1/20 0.49
RAB9A P51151 2/20 0.49
TAAR1 Q96RJ0 1/20 0.48
ATM Q13315 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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 SCHEMBL4220524 1.00 KMT2A (0.53) KMT2ANPC1CASRADRB3ALDH1A1
Fumaric Acid SCHEMBL4226822 0.93 TDP1 (0.58) KMT2ANPC1CASRADRB3ALDH1A1
Fumaric Acid SCHEMBL4226828 0.93 TDP1 (0.58) KMT2ANPC1CASRADRB3ALDH1A1
Fumaric Acid SCHEMBL4231652 0.89 ALDH1A1 (0.58) KMT2AALDH1A1MEN1
Fumaric Acid SCHEMBL4231644 0.89 ALDH1A1 (0.58) KMT2AALDH1A1MEN1
Fumaric Acid SCHEMBL4233829 0.84 ALDH1A1 (0.50) ALDH1A1TAAR1
Fumaric Acid SCHEMBL4233827 0.84 ALDH1A1 (0.50) ALDH1A1TAAR1
SCHEMBL4221974 0.84 TACR1 (0.62) KMT2ANPC1CASRADRB3MEN1
Fumaric Acid SCHEMBL4227185 0.84 ALDH1A1 (0.47) KMT2AALDH1A1MEN1
Fumaric Acid SCHEMBL4227194 0.84 ALDH1A1 (0.47) KMT2AALDH1A1MEN1

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
EP-2096104-A1 Organic diamines as mGluR7 modulators Novartis AG (CH) 2009-09-02 EP disclosed
US-20080242698-A1 Organic Compounds NOVARTIS AG (CH) 2008-10-02 US 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-20080242698-A1 Organic Compounds AOC1, OTC, ODC1 KMT2A 1438/4885MEN1 464/4885NPC1 1929/4885

“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.