Fumaric Acid

Fumaric Acid

SCHEMBL3499161

Cn1c(-c2ccc(-c3nc(CN)co3)cc2)nc2ccccc21.O=C(O)C=CC(=O)O

nearest known ligand 0.47

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 20)

geneUniProtsupporting neighboursconfidence
MEN1 known ✓ O00255 2/20 0.43
KMT2A known ✓ Q03164 2/20 0.43
ALDH1A1 P00352 5/20 0.47
PKM P14618 4/20 0.47
RAB9A P51151 4/20 0.47
KDM4E B2RXH2 4/20 0.47
NPC1 O15118 3/20 0.47
TP53 P04637 2/20 0.47
HSD17B10 Q99714 2/20 0.47
GAA P10253 2/20 0.47
ALOX15 P16050 1/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
RXFP1 Q9HBX9 1/20 0.43
MAPT P10636 3/20 0.43
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
GFER P55789 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 SCHEMBL3499156 1.00 ALDH1A1 (0.47) ALDH1A1PKMRAB9AKDM4ENPC1
Fumaric Acid SCHEMBL3497239 0.81 HTT (0.43) ALDH1A1RAB9AKDM4EMAPTSMN1; SMN2
Fumaric Acid SCHEMBL3497237 0.81 HTT (0.43) ALDH1A1RAB9AKDM4EMAPTSMN1; SMN2
SCHEMBL13164980 0.79 ALDH1A1 (0.46) ALDH1A1PKMRAB9AKDM4ENPC1
SCHEMBL3495307 0.79 ALDH1A1 (0.53) ALDH1A1PKMRAB9AKDM4ENPC1
SCHEMBL3498632 0.77 ALDH1A1 (0.55) ALDH1A1PKMRAB9AKDM4ENPC1
SCHEMBL3497458 0.74 ALDH1A1 (0.54) ALDH1A1PKMRAB9AKDM4ENPC1
SCHEMBL3497742 0.74 ALDH1A1 (0.52) ALDH1A1PKMRAB9AKDM4ENPC1
SCHEMBL3498561 0.74 ALDH1A1 (0.55) ALDH1A1PKMRAB9AKDM4ENPC1
Fumaric Acid SCHEMBL3499224 0.73 DRD2 (0.46) ALDH1A1RAB9ATP53SMN1; SMN2HTT

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 MEN1 1771/4885KMT2A 1090/4885ALDH1A1 1047/4885

“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.