Fumaric Acid

Fumaric Acid

SCHEMBL3221298

COc1ccccc1CN1Cc2ccccc2N=C1N1CCN(Cc2ccccc2)CC1.O=C(O)C=CC(=O)O

nearest known ligand 0.48

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 13)

geneUniProtsupporting neighboursconfidence
MEN1 known ✓ O00255 4/20 0.44
KMT2A known ✓ Q03164 4/20 0.44
KDM4E B2RXH2 4/20 0.48
ALDH1A1 P00352 4/20 0.48
ALOX15 P16050 1/20 0.46
SIGMAR1 Q99720 1/20 0.43
HTR7 P34969 3/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
CLPP Q16740 1/20 0.42
HTT P42858 1/20 0.41

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 SCHEMBL3221286 1.00 KDM4E (0.48) KDM4EALDH1A1ALOX15MEN1KMT2A
SCHEMBL4714296 0.93 KDM4E (0.47) KDM4EALDH1A1ALOX15MEN1KMT2A
Fumaric Acid SCHEMBL3220918 0.91 HTR1A (0.42) KDM4EALDH1A1ALOX15MEN1KMT2A
Fumaric Acid SCHEMBL3220938 0.91 HTR1A (0.42) KDM4EALDH1A1ALOX15MEN1KMT2A
Fumaric Acid SCHEMBL3218644 0.82 SIGMAR1 (0.53) KDM4EALDH1A1ALOX15MEN1KMT2A
Fumaric Acid SCHEMBL3218662 0.82 SIGMAR1 (0.53) KDM4EALDH1A1ALOX15MEN1KMT2A
SCHEMBL4717253 0.81 HTR6 (0.44) SIGMAR1
SCHEMBL3220411 0.78 GNAI3 (0.47) KDM4EALDH1A1SIGMAR1HTR7MAPT
SCHEMBL15914294 0.78 MEN1 (0.39) KDM4EALDH1A1ALOX15MEN1KMT2A
SCHEMBL3207059 0.76 KMT2A (0.38) KDM4EALDH1A1ALOX15MEN1KMT2A

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 3808/4885KDM4E 3028/4885
US-20100041698-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, HTR1A, HTR2C MEN1 2777/4885KMT2A 3808/4885KDM4E 3028/4885

“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.