Fumaric Acid

Fumaric Acid

SCHEMBL6631974

O=C(O)/C=C/C(=O)O.c1ccc(C(OC2CCN(CCCCCCOc3ccc4nncn4n3)CC2)c2ccccc2)cc1

nearest known ligand 0.81

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 20)

geneUniProtsupporting neighboursconfidence
MLNR known ✓ O43193 1/20 0.43
CHRM2 known ✓ P08172 1/20 0.43
ADRB1 known ✓ P08588 1/20 0.43
DRD2 known ✓ P14416 1/20 0.43
CHRM3 known ✓ P20309 1/20 0.43
SLC6A2 known ✓ P23975 1/20 0.43
HTR2A known ✓ P28223 1/20 0.43
HTR2C known ✓ P28335 1/20 0.43
SLC6A4 known ✓ P31645 1/20 0.43
HRH1 known ✓ P35367 1/20 0.43
HTR2B known ✓ P41595 1/20 0.43
KCNH2 known ✓ Q12809 1/20 0.43
PARP14 Q460N5 2/20 0.81
BCHE P06276 10/20 0.52
HPGDS O60760 1/20 0.43
NPC1 O15118 1/20 0.43
NR1I2 O75469 1/20 0.43
EGFR P00533 1/20 0.43
LMNA P02545 1/20 0.43
ERBB2 P04626 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 SCHEMBL6631979 1.00 PARP14 (0.81) PARP14BCHEHPGDSNPC1MLNR
Fumaric Acid SCHEMBL7225813 0.97 PARP14 (0.86) PARP14BCHEHPGDSNPC1MLNR
Fumaric Acid SCHEMBL7225810 0.97 PARP14 (0.86) PARP14BCHEHPGDSNPC1MLNR
SCHEMBL6633296 0.93 PARP14 (0.93) PARP14BCHEHPGDSNPC1MLNR
SCHEMBL7233408 0.87 PARP14 (0.91) PARP14BCHEHPGDSNPC1MLNR
Fumaric Acid SCHEMBL7227141 0.85 PARP14 (0.65) PARP14BCHEHPGDSLMNADRD2
Fumaric Acid SCHEMBL7227144 0.85 PARP14 (0.65) PARP14BCHEHPGDSLMNADRD2
Fumaric Acid SCHEMBL7226160 0.85 PARP14 (0.56) PARP14LMNADRD2SLC6A2HRH2
Fumaric Acid SCHEMBL7226163 0.85 PARP14 (0.56) PARP14LMNADRD2SLC6A2HRH2
Fumaric Acid SCHEMBL7006837 0.84 PARP14 (0.56) PARP14BCHEHPGDSNPC1MLNR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040254189-A1 Jnk inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-12-16 US disclosed
EP-1426050-A1 JNK INHIBITORS Takeda Chemical Industries, Ltd. (JP) 2004-06-09 EP disclosed
US-6610694-B1 Suppressing histamine and/or eosinophil chemotaxis; treating allergic diseases TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-08-26 US disclosed
EP-1120418-A1 FUSED PYRIDAZINE COMPOUNDS, PROCESS FOR THE PREPARATION OF THE SAME AND USES THEREOF Takeda Chemical Industries, Ltd. (JP) 2001-08-01 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-20040254189-A1 Jnk inhibitors AR, MAPK1, MAPK3 MLNR 2577/4885CHRM2 4345/4885ADRB1 85/4885

“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.