Fumaric Acid

Fumaric Acid

SCHEMBL5035246

COc1ccc(Nc2nc(NC3CCCCCC3)nc(N(C)C3CCN(C)CC3)n2)cc1Cl.O=C(O)C=CC(=O)O

nearest known ligand 0.48

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 19)

geneUniProtsupporting neighboursconfidence
MEN1 known ✓ O00255 1/20 0.38
KMT2A known ✓ Q03164 1/20 0.38
FLT3 known ✓ P36888 1/20 0.37
BCL6 P41182 2/20 0.48
EHMT2 Q96KQ7 6/20 0.44
EHMT1 Q9H9B1 6/20 0.44
HTT P42858 2/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
IDH2 P48735 1/20 0.39
MAPT P10636 3/20 0.39
BRD4 O60885 1/20 0.39
GAA P10253 1/20 0.39
RAB9A P51151 2/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
NPC1 O15118 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RET P07949 1/20 0.37
ROS1 P08922 1/20 0.37

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 SCHEMBL4835645 1.00 BCL6 (0.48) BCL6EHMT2EHMT1HTTALDH1A1
Malonic Acid SCHEMBL4832223 0.93 BCL6 (0.49) BCL6EHMT2EHMT1HTTSMN1; SMN2
SCHEMBL4829075 0.93 BCL6 (0.54) BCL6EHMT2EHMT1HTTSMN1; SMN2
Succinic Acid SCHEMBL4832741 0.92 BCL6 (0.48) BCL6EHMT2EHMT1SMN1; SMN2IDH2
Succinic Acid SCHEMBL5033441 0.92 BCL6 (0.48) BCL6EHMT2EHMT1SMN1; SMN2IDH2
SCHEMBL6230412 0.92 BCL6 (0.49) BCL6EHMT2EHMT1HTTSMN1; SMN2
Maleic Acid SCHEMBL4835112 0.91 EHMT2 (0.44) BCL6EHMT2EHMT1HTTSMN1; SMN2
Fumaric Acid SCHEMBL4836755 0.91 EHMT2 (0.44) BCL6EHMT2EHMT1HTTSMN1; SMN2
SCHEMBL5038228 0.90 BCL6 (0.56) BCL6EHMT2EHMT1SMN1; SMN2IDH2
SCHEMBL5032222 0.89 BCL6 (0.57) BCL6EHMT2EHMT1IDH2MAPT

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
US-7335656-B2 Stent with a disposed traiazine compound such as 6-(3-Chloro-4-methoxy-phenoxy)-N-cycloheptyl-N'-methyl-N'-(1-methyl-piperidin-4-yl)-[1,3,5]triazine-2,4-diamine for inhibiting smooth muscle proliferation; restenosis and atherosclerosis REDDY US THERAPEUTICS, INC. (US) 2008-02-26 US claimed
US-20070122444-A1 Medical devices employing triazine compounds and compositions thereof DR. REDDY'S LABORATORIES LTD. (IN) 2007-05-31 US claimed
US-7132423-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2006-11-07 US claimed
US-20040224950-A1 Methods and compositions of novel triazine compounds DR. REDDY'S LABORATORIES LTD. (IN) 2004-11-11 US claimed

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-20070122444-A1 Medical devices employing triazine compounds and compositions thereof AREG, TGFB1, TGFB2 MEN1 4059/4885KMT2A 3297/4885FLT3 757/4885
US-20040224950-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS MEN1 4761/4885KMT2A 4102/4885FLT3 1472/4885

“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.