Fumaric Acid

Fumaric Acid

SCHEMBL4122211

COc1cc(-c2cncc(CN(C)C3CCN(Cc4ccnc(-c5cc(OC)c(OC)c(OC)c5)c4)CC3)c2)cc(OC)c1OC.O=C(O)C=CC(=O)O.O=C(O)C=CC(=O)O

nearest known ligand 0.40

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
DRD2 known ✓ P14416 4/20 0.40
HTR2A known ✓ P28223 4/20 0.39
HTR2C known ✓ P28335 4/20 0.39
HTR2B known ✓ P41595 4/20 0.39
MEN1 known ✓ O00255 1/20 0.38
KMT2A known ✓ Q03164 1/20 0.38
JAK2 known ✓ O60674 1/20 0.35
JAK1 known ✓ P23458 1/20 0.35
TYK2 known ✓ P29597 1/20 0.35
JAK3 known ✓ P52333 1/20 0.35
GMNN O75496 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
PMP22 Q01453 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SIGMAR1 Q99720 5/20 0.39

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 SCHEMBL4122206 1.00 DRD2 (0.40) DRD2GMNNALDH1A1LMNAHPGD
SCHEMBL13800099 0.93 TGFBR1 (0.40) DRD2ALDH1A1DRD4DRD3MEN1
Fumaric Acid SCHEMBL4132724 0.90 DRD2 (0.43) DRD2GMNNALDH1A1LMNAHPGD
Fumaric Acid SCHEMBL4132722 0.90 DRD2 (0.43) DRD2GMNNALDH1A1LMNAHPGD
SCHEMBL4110325 0.84 BACE1 (0.41) ALDH1A1TDP1SIGMAR1MEN1KMT2A
Hydrochloric Acid SCHEMBL4115839 0.84 BACE1 (0.40) ALDH1A1TDP1SIGMAR1MEN1KMT2A
SCHEMBL13800151 0.83 BACE1 (0.44) DRD2ALDH1A1LMNADRD4DRD3
Hydrochloric Acid SCHEMBL4127582 0.83 BACE1 (0.43) DRD2ALDH1A1LMNADRD4DRD3
SCHEMBL13800770 0.83 HTR7 (0.40) DRD2DRD4DRD3SIGMAR1MEN1
SCHEMBL6328221 0.82 HTR7 (0.46) DRD2DRD4DRD3SIGMAR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090143430-A1 ERYTHROPOIETIN PRODUCTION ACCELERATOR KOWA CO., LTD. (JP) 2009-06-04 US disclosed
US-20060040986-A1 Erythropoietin production accelerator KOWA CO., LTD. (JP) 2006-02-23 US disclosed
EP-1568691-A1 ERYTHROPOIETIN PRODUCTION ACCELERATOR Kowa Co., Ltd. (JP) 2005-08-31 EP disclosed
US-20050176764-A1 Medicine for treating cancer KOWA CO., LTD (JP) 2005-08-11 US disclosed
US-6867221-B2 Cyclic amine compounds and pharmaceutical composition containing the same KOWA CO., LTD. (JP) 2005-03-15 US disclosed
EP-1422219-A1 CYCLIC AMINE COMPOUND Kowa Co., Ltd. (JP) 2004-05-26 EP disclosed
US-20040010147-A1 Cyclic amine compounds and pharmaceutical composition containing the same KOWA CO., LTD. (JP) 2004-01-15 US disclosed
US-6605620-B1 Such as 4-(N-(4-Methoxyphenyl)-N-(3-(3,4,5-trimethoxy-phenyl)-benzoylamino)-1-((2 -(3,4,5-trimethoxyphenyl)pyridin-4-yl)-methyl)piperidine; treatment and prevention of cell adhesion or infiltration KOWA CO., LTD. (JP) 2003-08-12 US disclosed
US-6498169-B1 CELL ADHESION AND INFILTRATION INHIBITORS; ANTIASTHMATICS, ANTIALLERGENS, ANTIRHEUMATICS, ANTIARTERIOSCLEROTICS, ANTIINFLAMMATORIES AND ANTI SJOGREN'S SYNDROME AGENTS KOWA CO., LTD. (JP) 2002-12-24 US disclosed
US-6395753-B1 ANTIHISTAMINES, ANTIALLERGENS, ANTIARTHRITIC AGENTS KOWA CO., LTD. (JP) 2002-05-28 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 (4 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-20050176764-A1 Medicine for treating cancer HDAC4, HDAC3, NR4A3 DRD2 2897/4885HTR2A 2298/4885HTR2C 1805/4885
US-20060040986-A1 Erythropoietin production accelerator EPOR, GHRHR, ARL1 DRD2 2405/4885HTR2A 4173/4885HTR2C 4146/4885
US-20090143430-A1 ERYTHROPOIETIN PRODUCTION ACCELERATOR EPOR, GHRHR, ARL1 DRD2 2405/4885HTR2A 4173/4885HTR2C 4146/4885
US-20040010147-A1 Cyclic amine compounds and pharmaceutical composition containing the same HRH3, HRH4, CNKSR1 DRD2 1366/4885HTR2A 1085/4885HTR2C 1188/4885

“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.