Fumaric Acid

Fumaric Acid

SCHEMBL7528566

Cc1cnc(N2CCN(CCNc3nc4ccccc4s3)CC2)nc1.O=C(O)C=CC(=O)O.O=C(O)C=CC(=O)O

nearest known ligand 0.52

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 1/20 0.49
KMT2A known ✓ Q03164 1/20 0.49
DRD2 known ✓ P14416 7/20 0.46
HTR1A known ✓ P08908 6/20 0.46
HTR2A known ✓ P28223 3/20 0.46
ADRA2A known ✓ P08913 1/20 0.43
ADRA2C known ✓ P18825 1/20 0.43
SLC6A2 known ✓ P23975 1/20 0.43
ADRA1A known ✓ P35348 1/20 0.43
HRH1 known ✓ P35367 1/20 0.43
HTR2B known ✓ P41595 1/20 0.43
GMNN O75496 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
PMP22 Q01453 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HTR7 P34969 4/20 0.46
DRD3 P35462 5/20 0.43
DRD4 P21917 4/20 0.43

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 SCHEMBL7528564 1.00 MEN1 (0.49) MEN1GMNNALDH1A1LMNAMAPT
SCHEMBL7519088 0.92 DRD2 (0.50) SMN1; SMN2DRD2HTR1AHTR7HTR2A
Fumaric Acid SCHEMBL7519064 0.91 MEN1 (0.49) MEN1GMNNALDH1A1LMNAMAPT
Fumaric Acid SCHEMBL7519061 0.91 MEN1 (0.49) MEN1GMNNALDH1A1LMNAMAPT
Fumaric Acid SCHEMBL7528638 0.91 HTR1A (0.56) MEN1GMNNALDH1A1LMNAMAPT
Fumaric Acid SCHEMBL7528644 0.91 HTR1A (0.56) MEN1GMNNALDH1A1LMNAMAPT
Fumaric Acid SCHEMBL7529655 0.86 DRD2 (0.56) MEN1GMNNALDH1A1LMNAMAPT
Fumaric Acid SCHEMBL7529648 0.86 DRD2 (0.56) MEN1GMNNALDH1A1LMNAMAPT
Fumaric Acid SCHEMBL7528654 0.84 DRD2 (0.60) MEN1GMNNALDH1A1LMNAMAPT
Fumaric Acid SCHEMBL7528661 0.84 DRD2 (0.60) MEN1GMNNALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6432958-B1 FOR THERAPY AND PROPHYLAXIS OF NEUROPSYCHOLOGICAL DISORDERS SUCH AS SCHIZOPHRENIA, MANIA, DEMENTIA, DEPRESSION, ANXIETY, COMPULSIVE BEHAVIOR, SUBSTANCE ABUSE, MOTOR DISORDERS AND MOTION DISORDERS RELATED TO USE OF NEUROLEPTIC AGENT NEUROGEN CORPORATION 2002-08-13 US claimed
US-20020058666-A1 2-piperazinoalkylaminobenzoazole derivatives: dopamine receptor subtype specific ligands NEUROGEN CORPORATION 2002-05-16 US claimed
EP-1117663-A2 2-PIPERAZINO ALKYLAMINO BENZOAZOLE DERIVATIVES: DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS NEUROGEN CORPORATION (US) 2001-07-25 EP claimed
WO-2000018767-A9 2-PIPERAZINO ALKYLAMINO BENZOAZOLE DERIVATIVES: DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS NEUROGEN CORP (US) 2001-04-19 WO claimed
WO-2000018767-A2 2-PIPERAZINO ALKYLAMINO BENZOAZOLE DERIVATIVES: DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS NEUROGEN CORPORATION (US) 2000-04-06 WO claimed
US-6432958-B1 FOR THERAPY AND PROPHYLAXIS OF NEUROPSYCHOLOGICAL DISORDERS SUCH AS SCHIZOPHRENIA, MANIA, DEMENTIA, DEPRESSION, ANXIETY, COMPULSIVE BEHAVIOR, SUBSTANCE ABUSE, MOTOR DISORDERS AND MOTION DISORDERS RELATED TO USE OF NEUROLEPTIC AGENT NEUROGEN CORPORATION 2002-08-13 US disclosed
US-20020058666-A1 2-piperazinoalkylaminobenzoazole derivatives: dopamine receptor subtype specific ligands NEUROGEN CORPORATION 2002-05-16 US disclosed
US-6284759-B1 PSYCHOLOGICAL DISORDERS; NERVOUS SYSTEM DISORDERS NEUROGEN CORPORATION 2001-09-04 US disclosed
EP-1117663-A2 2-PIPERAZINO ALKYLAMINO BENZOAZOLE DERIVATIVES: DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS NEUROGEN CORPORATION (US) 2001-07-25 EP disclosed
WO-2000018767-A9 2-PIPERAZINO ALKYLAMINO BENZOAZOLE DERIVATIVES: DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS NEUROGEN CORP (US) 2001-04-19 WO disclosed
WO-2000018767-A2 2-PIPERAZINO ALKYLAMINO BENZOAZOLE DERIVATIVES: DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS NEUROGEN CORPORATION (US) 2000-04-06 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 (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-20020058666-A1 2-piperazinoalkylaminobenzoazole derivatives: dopamine receptor subtype specific ligands CHRNA7, HTR7, OPRD1 MEN1 4873/4885KMT2A 1999/4885DRD2 8/4885

“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.