Fumaric Acid

Fumaric Acid

SCHEMBL1738463

C=CCn1c(C)c(C)c2ccnc(N3CCc4ccccc4C3)c21.O=C(O)C=CC(=O)O

nearest known ligand 0.39

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 5/20 0.39
KMT2A known ✓ Q03164 5/20 0.39
MAPT P10636 6/20 0.39
ALDH1A1 P00352 5/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP1A2 P05177 1/20 0.39
GRIN2D O15399 5/20 0.38
GRIN3B O60391 5/20 0.38
GRIN1 Q05586 5/20 0.38
GRIN2A Q12879 5/20 0.38
GRIN2B Q13224 5/20 0.38
GRIN2C Q14957 5/20 0.38
GRIN3A Q8TCU5 5/20 0.38
LMNA P02545 4/20 0.37
HPGD P15428 3/20 0.36

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
Maleic Acid SCHEMBL1738461 1.00 MAPT (0.39) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL1736602 0.92 GRIN2D (0.44) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
Bromide SCHEMBL1736828 0.92 GRIN2D (0.43) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL1736654 0.92 GRIN2D (0.43) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
Cadaverine Tartrate SCHEMBL1736818 0.91 MAPT (0.38) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
Sulfuric Acid SCHEMBL1736498 0.91 GRIN2D (0.39) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
Phosphoric Acid SCHEMBL1736620 0.91 GRIN2D (0.39) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL1738029 0.90 GRIN2D (0.39) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL1735468 0.89 GRIN2D (0.37) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
Nitric Acid SCHEMBL1738868 0.89 GRIN2D (0.38) MAPTALDH1A1MEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1784404-B1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2011-11-16 EP claimed
US-20110263306-A1 COMPUTER SYSTEM AND PROGRAM NAMCO BANDAI GAMES INC. (JP) 2011-10-27 US claimed
US-7662832-B2 Pyrrolo[2,3-c]pyridine derivatives and processes for the preparation thereof YUHAN CORPORATION (KR) 2010-02-16 US claimed
EP-1784404-A4 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2009-09-09 EP claimed
JP-2008511621-A 2008-04-17 JP claimed
US-20070219230-A1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2007-09-20 US claimed
EP-1784404-A1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF Yuhan Corporation (KR) 2007-05-16 EP claimed
WO-2006025716-A1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2006-03-09 WO claimed
US-8188114-B2 Pyrrolo[2,3-C]pyridine derivatives and processes for the preparation thereof YUHAN CORPORATION (KR) 2012-05-29 US disclosed
EP-1784404-B1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2011-11-16 EP disclosed
US-20110263306-A1 COMPUTER SYSTEM AND PROGRAM NAMCO BANDAI GAMES INC. (JP) 2011-10-27 US disclosed
US-20100069430-A1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2010-03-18 US disclosed
US-7662832-B2 Pyrrolo[2,3-c]pyridine derivatives and processes for the preparation thereof YUHAN CORPORATION (KR) 2010-02-16 US disclosed
US-20070219230-A1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2007-09-20 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 (2 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-20100069430-A1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF PGA5, ATP6AP1, ATP6V1H MEN1 2624/4885KMT2A 3661/4885MAPT 3920/4885
US-20070219230-A1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF PGA5, ATP6AP1, ATP6V1H MEN1 2624/4885KMT2A 3661/4885MAPT 3920/4885

“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.