Fumaric Acid

Fumaric Acid

SCHEMBL4769418

COc1ccc(-c2cc(CN3CCN(Cc4ccnc(-c5cc(OC)c(OC)c(OC)c5)c4)CC3)ccn2)cc1OC.O=C(O)C=CC(=O)O.O=C(O)C=CC(=O)O

nearest known ligand 0.51

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 11)

geneUniProtsupporting neighboursconfidence
KMT2A known ✓ Q03164 2/20 0.44
MEN1 known ✓ O00255 1/20 0.44
KDM4E B2RXH2 3/20 0.51
CFTR P13569 1/20 0.47
POLB P06746 2/20 0.45
PKM P14618 1/20 0.45
ALDH1A1 P00352 4/20 0.44
ALOX12 P18054 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
FAAH O00519 1/20 0.42

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 SCHEMBL4769416 1.00 KDM4E (0.51) KDM4ECFTRPOLBPKMKMT2A
Fumaric Acid SCHEMBL4763898 0.91 HDAC1 (0.50) KDM4EPOLBKMT2AMEN1ALDH1A1
Fumaric Acid SCHEMBL4763894 0.91 HDAC1 (0.50) KDM4EPOLBKMT2AMEN1ALDH1A1
Fumaric Acid SCHEMBL4774692 0.91 POLB (0.50) KDM4EPOLBKMT2AMEN1ALDH1A1
Fumaric Acid SCHEMBL4774701 0.91 POLB (0.50) KDM4EPOLBKMT2AMEN1ALDH1A1
SCHEMBL7160532 0.91 KDM4E (0.51) KDM4ECFTRKMT2AMEN1ALDH1A1
Fumaric Acid SCHEMBL6166760 0.90 POLB (0.57) KDM4EPOLBKMT2AMEN1ALDH1A1
Fumaric Acid SCHEMBL6166765 0.90 POLB (0.57) KDM4EPOLBKMT2AMEN1ALDH1A1
Fumaric Acid SCHEMBL4772608 0.89 MCL1 (0.46) POLBKMT2AMEN1ALDH1A1CYP3A4
Fumaric Acid SCHEMBL4772611 0.89 MCL1 (0.46) POLBKMT2AMEN1ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1400513-B1 UNSYMMETRICAL CYCLIC DIAMINE COMPOUND KOWA CO (JP) 2008-01-09 EP disclosed
EP-1400513-A1 UNSYMMETRICAL CYCLIC DIAMINE COMPOUND Kowa Co., Ltd. (JP) 2004-03-24 EP disclosed
US-6552188-B2 Inhibit cell adhesion and cell infiltration; useful treating asthma, allergies, rheumatic diseases, arteriosclerosis, and inflammation; 2-(3,4,5-trimethoxyphenyl),4-((4-substituted piperazin-1-yl)methyl)pyridine compounds KOWA CO., LTD. (JP) 2003-04-22 US disclosed
US-20030022887-A1 Unsymmetrical cyclic diamine compound KOWA CO., LTD. (JP) 2003-01-30 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-20030022887-A1 Unsymmetrical cyclic diamine compound H1-0, DDAH1, AOC1 KMT2A 2217/4885MEN1 1047/4885KDM4E 3292/4885

“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.