Fumaric Acid

Fumaric Acid

SCHEMBL3562685

O=C(O)/C=C/C(=O)O.OCCOCCN1CCN(c2cccc3c2C=Nc2ccccc2S3)CC1

nearest known ligand 0.65

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
MEN1 known ✓ O00255 3/20 0.65
KMT2A known ✓ Q03164 3/20 0.65
DRD2 known ✓ P14416 2/20 0.53
CHRM2 known ✓ P08172 2/20 0.53
CHRM3 known ✓ P20309 2/20 0.53
HTR2A known ✓ P28223 2/20 0.53
HTR2C known ✓ P28335 2/20 0.53
HRH1 known ✓ P35367 2/20 0.53
HTR2B known ✓ P41595 2/20 0.53
KCNH2 known ✓ Q12809 1/20 0.53
KDM4E B2RXH2 4/20 0.65
MAPK1 P28482 3/20 0.65
LMNA P02545 3/20 0.53
HTR1A P08908 3/20 0.53
HTR7 P34969 3/20 0.53
HTR6 P50406 2/20 0.53
CHRM4 P08173 2/20 0.53
CHRM5 P08912 2/20 0.53
ADRA2A P08913 2/20 0.53
CHRM1 P11229 2/20 0.53

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 SCHEMBL3562688 1.00 KDM4E (0.65) KDM4EMEN1MAPK1KMT2ALMNA
SCHEMBL905217 0.93 DRD2 (0.60) KDM4EMEN1MAPK1KMT2ALMNA
SCHEMBL5563082 0.84 HTR2A (0.46) KDM4EMEN1MAPK1KMT2ALMNA
SCHEMBL5809604 0.82 DRD2 (0.46) KDM4EMEN1MAPK1KMT2ALMNA
SCHEMBL5329365 0.82 DRD2 (0.46) KDM4EMEN1MAPK1KMT2ALMNA
SCHEMBL21641980 0.79 ADRA2A (0.54) KDM4EMEN1MAPK1KMT2ALMNA
Quetiapine SCHEMBL122596 0.79 KDM4E (1.00) KDM4EMEN1MAPK1KMT2ALMNA
Quetiapine SCHEMBL4962023 0.79 KDM4E (1.00) KDM4EMEN1MAPK1KMT2ALMNA
Quetiapine SCHEMBL678457 0.79 KDM4E (1.00) KDM4EMEN1MAPK1KMT2ALMNA
Quetiapine SCHEMBL390694 0.79 KDM4E (1.00) KDM4EMEN1MAPK1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7687622-B2 Process for preparing quetiapine fumarate TEVA PHARMACEUTICAL INDUSTRIES, LTD (IL) 2010-03-30 US disclosed
US-20060276641-A1 Process for preparing quetiapine fumarate TEVA PHARMACEUTICAL INDUSTRIES LTD (IL) 2006-12-07 US disclosed
EP-1448169-A1 METHOD FOR IMPROVING DISSOLUTION OF POORLY DISPERSIBLE MEDICAMENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-25 EP disclosed
EP-1359919-A1 METHOD OF TREATING SUBSTANCE ABUSE WITH QUETIAPINE AstraZeneca AB (SE) 2003-11-12 EP disclosed
EP-1345610-A1 METHOD OF TREATMENT AstraZeneca AB (SE) 2003-09-24 EP disclosed
EP-1326616-A1 NEW USE OF QUETIAPINE AstraZeneca AB (SE) 2003-07-16 EP disclosed
WO-2003039516-A1 METHOD FOR IMPROVING DISSOLUTION OF POORLY DISPERSIBLE MEDICAMENTS FUJISAWA PHARMACEUTICLA CO., LTD. (JP) 2003-05-15 WO disclosed
WO-2002062346-A1 METHOD OF TREATING SUBSTANCE ABUSE WITH QUETIAPINE ASTRAZENECA AB (SE) 2002-08-15 WO disclosed
EP-1223939-A1 METHOD OF TREATING WEIGHT GAIN AstraZeneca AB (SE) 2002-07-24 EP disclosed
WO-2002049652-A1 METHOD OF TREATMENT ASTRAZENECA AB (SE) 2002-06-27 WO disclosed
WO-2002020019-A1 NEW USE OF QUETIAPINE ASTRAZENECA AB (SE) 2002-03-14 WO disclosed
WO-2000071106-A2 METHOD OF TREATING WEIGHT GAIN ASTRAZENECA AB (SE) 2000-11-30 WO disclosed
EP-1000043-A1 A CRYSTALLINE DIBENZOTHIAZEPINE DERIVATIVE AND ITS USE AS AN ANTIPSYCHOTIC AGENT AstraZeneca UK Limited (GB) 2000-05-17 EP disclosed
WO-1999006381-A1 A CRYSTALLINE DIBENZOTHIAZEPINE DERIVATIVE AND ITS USE AS AN ANTIPSYCHOTIC AGENT ZENECA LIMITED (GB) 1999-02-11 WO 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-20060276641-A1 Process for preparing quetiapine fumarate SDHA, SDHB, FH MEN1 3918/4885KMT2A 230/4885DRD2 626/4885

“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.