Fumaric Acid

Fumaric Acid

SCHEMBL1502280

CCOc1cc(N)c(Cl)cc1C(=O)NCC1CN(CC2CCN(C(=O)CO)CC2)CCO1.O=C(O)/C=C/C(=O)O

nearest known ligand 0.61

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
KCNH2 known ✓ Q12809 5/20 0.61
MEN1 known ✓ O00255 1/20 0.61
HTR2C known ✓ P28335 1/20 0.61
SLC6A4 known ✓ P31645 1/20 0.61
HTR2B known ✓ P41595 1/20 0.61
KMT2A known ✓ Q03164 1/20 0.61
DRD2 known ✓ P14416 3/20 0.47
DRD3 P35462 3/20 0.61
LMNA P02545 1/20 0.61
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
HTR1A P08908 1/20 0.61
ADRA2A P08913 1/20 0.61
ADORA3 P0DMS8 1/20 0.61
CYP2C9 P11712 1/20 0.61
ADRA2B P18089 1/20 0.61
CYP2C19 P33261 1/20 0.61
SIGMAR1 Q99720 1/20 0.61
HTR4 Q13639 8/20 0.47
ACHE P22303 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
SCHEMBL1501999 0.96 KCNH2 (0.66) KCNH2DRD3MEN1LMNACYP1A2
SCHEMBL1502162 0.90 KCNH2 (0.64) KCNH2DRD3MEN1LMNACYP1A2
SCHEMBL1501940 0.90 KCNH2 (0.64) KCNH2DRD3MEN1LMNACYP1A2
SCHEMBL1502202 0.89 KCNH2 (0.62) KCNH2DRD3MEN1LMNACYP1A2
SCHEMBL13008976 0.88 KCNH2 (0.56) KCNH2DRD3MEN1LMNACYP1A2
SCHEMBL8004446 0.88 HTR4 (0.57) KCNH2DRD3MEN1LMNACYP1A2
SCHEMBL1501927 0.88 HTR4 (0.57) KCNH2DRD3MEN1LMNACYP1A2
SCHEMBL1501978 0.88 KCNH2 (0.68) KCNH2DRD3MEN1LMNACYP1A2
SCHEMBL28011737 0.88 KCNH2 (0.63) KCNH2DRD3MEN1LMNACYP1A2
Bromide SCHEMBL1501965 0.88 HTR4 (0.56) KCNH2DRD3MEN1LMNACYP1A2

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
EP-2256114-B1 AMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME DAINIPPON SUMITOMO PHARMA CO (JP) 2014-06-25 EP disclosed
US-7906510-B2 Amide derivative and pharmaceutical composition containing the same Dainippon Sumito Pharma Co., Ltd. (JP) 2011-03-15 US disclosed
EP-2256114-A1 AMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME Dainippon Sumitomo Pharma Co., Ltd. (JP) 2010-12-01 EP disclosed
US-20100249399-A1 AMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME Sumitomo Pharma Co., Ltd. (JP) 2010-09-30 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-20100249399-A1 AMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME HTR4, MC2R, HTR1D KCNH2 4145/4885MEN1 1304/4885HTR2C 31/4885

“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.