Fumaric Acid

Fumaric Acid

SCHEMBL4304307

O=C(O)/C=C/C(=O)O.O=c1cnc2ccc(F)cc2n1CCN1CCC(NCc2cnc3c(c2)OCCO3)CC1

nearest known ligand 0.57

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 3)

geneUniProtsupporting neighboursconfidence
KCNH2 known ✓ Q12809 17/20 0.54
KCNQ1 P51787 1/20 0.45
CACNA1C Q13936 1/20 0.45

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 SCHEMBL4304312 1.00 KCNH2 (0.54) KCNH2KCNQ1CACNA1C
SCHEMBL4294683 0.94 KCNH2 (0.59) KCNH2KCNQ1CACNA1C
Fumaric Acid SCHEMBL3858295 0.90 KCNH2 (0.58) KCNH2KCNQ1CACNA1C
Fumaric Acid SCHEMBL3858299 0.90 KCNH2 (0.58) KCNH2KCNQ1CACNA1C
SCHEMBL4128253 0.88 KCNH2 (0.67) KCNH2
Hydrochloric Acid SCHEMBL4148365 0.87 KCNH2 (0.66) KCNH2
SCHEMBL2796998 0.85 KCNH2 (0.62) KCNH2KCNQ1CACNA1C
SCHEMBL12000301 0.84 KCNH2 (0.61) KCNH2KCNQ1CACNA1C
Hydrochloric Acid SCHEMBL2794569 0.84 KCNH2 (0.61) KCNH2KCNQ1CACNA1C
SCHEMBL3859714 0.83 KCNH2 (0.64) KCNH2KCNQ1CACNA1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8071592-B2 Derivatives and analogs of N-ethylquinolones and N-ethylazaquinolones GLAXO GROUP LIMITED (GB) 2011-12-06 US disclosed
US-20090270374-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES GLAXO GROUP LIMITED (GB) 2009-10-29 US disclosed
EP-1992628-A1 Derivatives and analogs of N-ethylquinolones and N-ethylazaquinolones GLAXO GROUP LIMITED (GB) 2008-11-19 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-20090270374-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES ETFA, NQO2, GNAQ KCNH2 2142/4885KCNQ1 297/4885CACNA1C 4176/4885

“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.