Fumaric Acid

Fumaric Acid

SCHEMBL1472995

CC1(C)CC(Nc2ccc(Cl)c(C(F)(F)F)c2)CC(C)(C)N1.O=C(O)/C=C/C(=O)O

nearest known ligand 0.47

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
KMT2A known ✓ Q03164 3/20 0.43
MEN1 known ✓ O00255 2/20 0.43
KDR P35968 2/20 0.45
PKM P14618 2/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
ALOX15 P16050 1/20 0.43
ALOX12 P18054 1/20 0.43
RAD52 P43351 1/20 0.43
GFER P55789 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PDK1 Q15118 1/20 0.42
CCR2 P41597 2/20 0.41
EPHX2 P34913 2/20 0.41
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
GRIN2B Q13224 3/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL1471297 0.90 KMT2A (0.49) KDRKMT2AMEN1PKMALDH1A1
Fumaric Acid SCHEMBL1473011 0.83 KMT2A (0.46) KMT2AMEN1PKMALDH1A1LMNA
Fumaric Acid SCHEMBL1472941 0.81 LMNA (0.46) KMT2AMEN1PKMALDH1A1LMNA
Fumaric Acid SCHEMBL1471480 0.76 L3MBTL1 (0.46) KMT2AMEN1PKMALDH1A1LMNA
Fumaric Acid SCHEMBL1470857 0.76 MEN1 (0.47) KMT2AMEN1PKMALDH1A1LMNA
SCHEMBL1471429 0.74 KMT2A (0.56) KMT2AMEN1PKMALDH1A1LMNA
Fumaric Acid SCHEMBL1471280 0.74 MEN1 (0.47) KMT2AMEN1PKMALDH1A1LMNA
Hydrochloric Acid SCHEMBL1472992 0.73 KMT2A (0.55) KMT2AMEN1PKMALDH1A1LMNA
SCHEMBL12835473 0.72 KDR (0.66) KDRKMT2AMEN1ALDH1A1PDK1
Fumaric Acid SCHEMBL27661327 0.72 MEN1 (0.43) KMT2AMEN1PKMALDH1A1LMNA

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 KMT2A 1498/4885MEN1 2529/4885KDR 1462/4885

“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.