Fumaric Acid

Fumaric Acid

SCHEMBL3497899

Cn1c(CN2CCCC2)cnc1-c1ccc(Cn2cnc3ccccc32)cc1.O=C(O)C=CC(=O)O

nearest known ligand 0.48

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 15)

geneUniProtsupporting neighboursconfidence
HRH3 known ✓ Q9Y5N1 7/20 0.43
CYP11B1 P15538 7/20 0.48
CYP11B2 P19099 7/20 0.48
HTT P42858 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 3/20 0.46
TNF P01375 1/20 0.44
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
BRD4 O60885 1/20 0.42
MAPK1 P28482 1/20 0.42
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
IDO1 P14902 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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 SCHEMBL3497894 1.00 CYP11B1 (0.48) CYP11B1CYP11B2HTTSMN1; SMN2LMNA
SCHEMBL3496656 0.92 CYP11B1 (0.54) CYP11B1CYP11B2HTTSMN1; SMN2LMNA
Fumaric Acid SCHEMBL3496706 0.87 KDR (0.42) CYP11B1CYP11B2HTTHRH3
Fumaric Acid SCHEMBL3496700 0.87 KDR (0.42) CYP11B1CYP11B2HTTHRH3
Fumaric Acid SCHEMBL3496666 0.84 SIGMAR1 (0.47) CYP11B1CYP11B2HRH3
Fumaric Acid SCHEMBL3496670 0.84 SIGMAR1 (0.47) CYP11B1CYP11B2HRH3
Fumaric Acid SCHEMBL3497884 0.83 CYP11B1 (0.48) CYP11B1CYP11B2SMN1; SMN2HRH3
Fumaric Acid SCHEMBL3497880 0.83 CYP11B1 (0.48) CYP11B1CYP11B2SMN1; SMN2HRH3
SCHEMBL3496676 0.80 CYP11B1 (0.59) CYP11B1CYP11B2HTTSMN1; SMN2LMNA
Fumaric Acid SCHEMBL3496685 0.79 MCHR1 (0.40) CYP11B1CYP11B2SMN1; SMN2HRH3HDAC6

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
US-7803825-B2 Aminoalkylazole derivatives as histamine-3 antagonists WYETH LLC (US) 2010-09-28 US disclosed
US-20090023707-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-01-22 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-20090023707-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS HRH4, HRH3, HRH2 HRH3 2/4885CYP11B1 2926/4885CYP11B2 2281/4885

“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.