Fumaric Acid

Fumaric Acid

SCHEMBL5864892

Cc1cnc(C2=Cc3ccsc3CC2)cc1N.O=C(O)/C=C/C(=O)O

nearest known ligand 0.33

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 4)

geneUniProtsupporting neighboursconfidence
MEN1 known ✓ O00255 1/20 0.33
KMT2A known ✓ Q03164 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33

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 SCHEMBL5864894 1.00 MEN1 (0.33) MEN1MAPTMAPK1KMT2A
Fumaric Acid SCHEMBL27608453 0.81 GRIN2D (0.40) MEN1KMT2A
Fumaric Acid SCHEMBL5864931 0.81 GRIN2D (0.40) MEN1KMT2A
Fumaric Acid SCHEMBL5864925 0.81 GRIN2D (0.40) MEN1KMT2A
Fumaric Acid SCHEMBL5865403 0.81 ASIC3 (0.35) MEN1MAPTMAPK1KMT2A
Fumaric Acid SCHEMBL27590111 0.79 HRH1 (0.35) MEN1KMT2A
Fumaric Acid SCHEMBL5865019 0.79 HRH1 (0.35) MEN1KMT2A
Fumaric Acid SCHEMBL5865012 0.79 HRH1 (0.35) MEN1KMT2A
Fumaric Acid SCHEMBL5865171 0.72 CYP19A1 (0.41) MEN1MAPK1KMT2A
SCHEMBL5865422 0.68 ASIC3 (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1837195-A Pyridine derivatives as nmda-receptor subtype blockers HOFFMANN LA ROCHE (CH) 2006-09-27 CN disclosed
US-7034044-B2 Conjugated aromatic compounds with a pyridine substituent HOFFMANN-LA ROCHE INC. (US) 2006-04-25 US disclosed
US-20060058354-A1 Conjugated aromatic compounds with a pyridine substituent ALANINE ALEXANDER 2006-03-16 US disclosed
US-6951875-B2 Conjugated aromatic compounds with a pyridine substituent HOFFMANN-LA ROCHE INC. (US) 2005-10-04 US disclosed
CN-1578662-A Pyridine derivatives as nmda-receptor subtype blockers HOFFMANN LA ROCHE (CH) 2005-02-09 CN disclosed
EP-1443926-A1 PYRIDINE DERIVATIVES AS NMDA-RECEPTOR SUBTYPE BLOCKERS F. HOFFMANN-LA ROCHE AG (CH) 2004-08-11 EP disclosed
US-20040068118-A1 Conjugated aromatic compounds with a pyridine substituent ALANINE ALEXANDER (FR) 2004-04-08 US disclosed
US-20030144525-A1 Conjugated aromatic compounds with a pyridine substituent HOFFMANN-LA ROCHE INC. 2003-07-31 US disclosed
WO-2003037333-A1 PYRIDINE DERIVATIVES AS NMDA-RECEPTOR SUBTYPE BLOCKERS F. HOFFMANN-LA ROCHE AG (CH) 2003-05-08 WO 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 (3 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-20040068118-A1 Conjugated aromatic compounds with a pyridine substituent GRIN2B, GRIN1, GRIN2C MEN1 2517/4885KMT2A 823/4885MAPT 911/4885
US-20030144525-A1 Conjugated aromatic compounds with a pyridine substituent GRIN2B, GRIN1, GRIN2C MEN1 2517/4885KMT2A 823/4885MAPT 911/4885
US-20060058354-A1 Conjugated aromatic compounds with a pyridine substituent GRIN2B, GRIN3A, GRIN2C MEN1 2586/4885KMT2A 699/4885MAPT 907/4885

“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.