Fumaric Acid

Fumaric Acid

SCHEMBL7528638

O=C(O)/C=C/C(=O)O.O=C(O)/C=C/C(=O)O.c1cnc(N2CCN(CCNc3nc4ccccc4s3)CC2)nc1

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADRB1ADRB2ATP4AATP4BAXLCHRM2CHRM3DRD2FLT3HRH1HTR2AHTR2BHTR2CKCNH2KMT2AMAP2K1MAP2K2MEN1MLNRPLK4RENS1PR1SLC6A2SLC6A4atpAatpBatpCatpDatpEatpFatpFHatpGpol

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 6/20 0.56
HTR2A known ✓ P28223 3/20 0.56
SLC6A2 known ✓ P23975 1/20 0.53
HRH1 known ✓ P35367 1/20 0.53
HTR2B known ✓ P41595 1/20 0.53
MEN1 known ✓ O00255 1/20 0.52
KMT2A known ✓ Q03164 1/20 0.52
HTR1A P08908 6/20 0.56
HTR7 P34969 4/20 0.56
DRD3 P35462 4/20 0.53
DRD4 P21917 3/20 0.53
ADRA2A P08913 1/20 0.53
ADRA2C P18825 1/20 0.53
ADRA1A P35348 1/20 0.53
SIGMAR1 Q99720 1/20 0.53
GMNN O75496 1/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52
PMP22 Q01453 1/20 0.52

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 SCHEMBL7528644 1.00 HTR1A (0.56) HTR1ADRD2HTR7HTR2ADRD3
Fumaric Acid SCHEMBL7528654 0.93 DRD2 (0.60) HTR1ADRD2HTR7HTR2ADRD3
Fumaric Acid SCHEMBL7528661 0.93 DRD2 (0.60) HTR1ADRD2HTR7HTR2ADRD3
SCHEMBL7519839 0.91 DRD2 (0.63) HTR1ADRD2HTR7HTR2ADRD3
Fumaric Acid SCHEMBL7519064 0.91 MEN1 (0.49) HTR1ADRD2HTR7HTR2ADRD3
Fumaric Acid SCHEMBL7528564 0.91 MEN1 (0.49) HTR1ADRD2HTR7HTR2ADRD3
Fumaric Acid SCHEMBL7528566 0.91 MEN1 (0.49) HTR1ADRD2HTR7HTR2ADRD3
Fumaric Acid SCHEMBL7519061 0.91 MEN1 (0.49) HTR1ADRD2HTR7HTR2ADRD3
Fumaric Acid SCHEMBL7520762 0.90 HTR1A (0.55) HTR1ADRD2HTR7HTR2ADRD3
Fumaric Acid SCHEMBL7520755 0.90 HTR1A (0.55) HTR1ADRD2HTR7HTR2ADRD3

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 5 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
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

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 DRD2 8/4885HTR2A 45/4885SLC6A2 148/4885

“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.