Fumaric Acid

Fumaric Acid

SCHEMBL1471280

CC1(C)CC(Nc2ccc(Cl)cc2Cl)CC(C)(C)N1.O=C(O)/C=C/C(=O)O

nearest known ligand 0.53

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 19)

geneUniProtsupporting neighboursconfidence
MEN1 known ✓ O00255 3/20 0.47
KMT2A known ✓ Q03164 3/20 0.47
MAPK1 P28482 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PKM P14618 2/20 0.41
POLB P06746 2/20 0.40
P2RX7 Q99572 1/20 0.40
RAB9A P51151 2/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
RAD52 P43351 1/20 0.39
GFER P55789 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
EGFR P00533 1/20 0.39
NPC1 O15118 1/20 0.38
EZH2 Q15910 1/20 0.38

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 SCHEMBL1470857 0.90 MEN1 (0.47) MEN1KMT2AMAPK1SMN1; SMN2PKM
SCHEMBL1471325 0.88 KMT2A (0.47) MEN1KMT2AMAPK1SMN1; SMN2PKM
Fumaric Acid SCHEMBL1471480 0.81 L3MBTL1 (0.46) MEN1KMT2APKMPOLBALDH1A1
Fumaric Acid SCHEMBL27681077 0.79 PTK2 (0.43) MEN1KMT2AMAPK1SMN1; SMN2PKM
Fumaric Acid SCHEMBL1473011 0.79 KMT2A (0.46) MEN1KMT2ASMN1; SMN2PKMPOLB
SCHEMBL1471326 0.77 KMT2A (0.47) MEN1KMT2AMAPK1SMN1; SMN2PKM
SCHEMBL1471475 0.75 PKM (0.46) MEN1KMT2AMAPK1SMN1; SMN2PKM
Fumaric Acid SCHEMBL1472941 0.74 LMNA (0.46) MEN1KMT2APKMALDH1A1LMNA
Hydrochloric Acid SCHEMBL1470849 0.74 PKM (0.45) MEN1KMT2AMAPK1SMN1; SMN2PKM
Fumaric Acid SCHEMBL1472995 0.74 KDR (0.45) MEN1KMT2APKMALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110086880-A1 NOVEL ALKYL SUBSTITUTED PIPERIDINE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS PETERS DAN 2011-04-14 US disclosed
US-7915419-B2 Alkyl substituted piperidine derivatives and their use as monoamine neurotransmitter re-uptake inhibitors NEUROSEARCH A/S (DK) 2011-03-29 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-20110086880-A1 NOVEL ALKYL SUBSTITUTED PIPERIDINE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS SLC18A2, SLC6A2, SLC18A3 MEN1 2529/4885KMT2A 1498/4885MAPK1 3366/4885

“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.