Fumaric Acid

Fumaric Acid

SCHEMBL3220918

COc1ccccc1CN1Cc2ccccc2N=C1N1CCN(C)CC1.O=C(O)/C=C/C(=O)O

nearest known ligand 0.42

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 14)

geneUniProtsupporting neighboursconfidence
MEN1 known ✓ O00255 3/20 0.41
KMT2A known ✓ Q03164 3/20 0.41
HRH1 known ✓ P35367 1/20 0.40
SLC6A2 known ✓ P23975 1/20 0.39
SLC6A4 known ✓ P31645 1/20 0.39
HTR1A P08908 4/20 0.42
HTR1D P28221 4/20 0.42
HTR1B P28222 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 4/20 0.39
HTR7 P34969 2/20 0.39
HTR6 P50406 1/20 0.38
ALOX15 P16050 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 SCHEMBL3220938 1.00 HTR1A (0.42) HTR1AHTR1DHTR1BMEN1KMT2A
SCHEMBL4717253 0.91 HTR6 (0.44) HTR6
Fumaric Acid SCHEMBL3221298 0.91 KDM4E (0.48) MEN1KMT2AKDM4EALDH1A1HTR7
Fumaric Acid SCHEMBL3221286 0.91 KDM4E (0.48) MEN1KMT2AKDM4EALDH1A1HTR7
SCHEMBL4714296 0.82 KDM4E (0.47) MEN1KMT2AKDM4EALDH1A1ALOX15
SCHEMBL3220411 0.81 GNAI3 (0.47) KDM4EALDH1A1SLC6A2SLC6A4HTR7
SCHEMBL15914294 0.80 MEN1 (0.39) MEN1KMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL3207059 0.79 KMT2A (0.38) MEN1KMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL3207054 0.78 MEN1 (0.36) MEN1KMT2ASMN1; SMN2KDM4EALDH1A1
Hydrochloric Acid SCHEMBL3198684 0.76 HTR6 (0.37) MEN1KMT2ASMN1; SMN2KDM4EALDH1A1

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-20140221371-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS AbbVie Deutschland GmbH & Co. KG (DE) 2014-08-07 US disclosed
US-20100041698-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2010-02-18 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 (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-20140221371-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, HTR1A, HTR2C MEN1 2777/4885KMT2A 3808/4885HRH1 277/4885
US-20100041698-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, HTR1A, HTR2C MEN1 2777/4885KMT2A 3808/4885HRH1 277/4885

“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.