Fumaric Acid

Fumaric Acid

SCHEMBL3496685

Cn1c(CN2CCCC2)cnc1-c1ccc(F)cc1.O=C(O)/C=C/C(=O)O

nearest known ligand 0.41

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 15)

geneUniProtsupporting neighboursconfidence
HTR2C known ✓ P28335 2/20 0.40
MCHR1 Q99705 3/20 0.40
WNT1 P04628 2/20 0.40
GSK3B P49841 2/20 0.40
DYRK1A Q13627 2/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HRH3 Q9Y5N1 2/20 0.39
GRIN2B Q13224 2/20 0.39
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
HRH4 Q9H3N8 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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 SCHEMBL3496686 1.00 MCHR1 (0.40) MCHR1HTR2CWNT1GSK3BDYRK1A
Fumaric Acid SCHEMBL3496666 0.90 SIGMAR1 (0.47) MCHR1HTR2CHRH3CYP11B1CYP11B2
Fumaric Acid SCHEMBL3496670 0.90 SIGMAR1 (0.47) MCHR1HTR2CHRH3CYP11B1CYP11B2
Fumaric Acid SCHEMBL3497880 0.90 CYP11B1 (0.48) MCHR1HTR2CNPC1RAB9ASMN1; SMN2
Fumaric Acid SCHEMBL3497884 0.90 CYP11B1 (0.48) MCHR1HTR2CNPC1RAB9ASMN1; SMN2
SCHEMBL3497311 0.89 CYP11B1 (0.42) MCHR1HTR2CWNT1GSK3BDYRK1A
Fumaric Acid SCHEMBL3498395 0.86 FNTA (0.42) HRH3
Fumaric Acid SCHEMBL3498393 0.86 FNTA (0.42) HRH3
Fumaric Acid SCHEMBL3496700 0.80 KDR (0.42) HRH3CYP11B1CYP11B2
Fumaric Acid SCHEMBL3496706 0.80 KDR (0.42) HRH3CYP11B1CYP11B2

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 HTR2C 29/4885MCHR1 315/4885WNT1 4487/4885

“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.