Fumaric Acid

Fumaric Acid

SCHEMBL2379209

COc1cccc(OC)c1CNC(=N)Nc1nc2ccc(C)cc2s1.O=C(O)/C=C/C(=O)O

nearest known ligand 0.58

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 2/20 0.44
CSNK1D P48730 6/20 0.58
RAB9A P51151 4/20 0.53
NPC1 O15118 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
TP53 P04637 2/20 0.53
DYRK1A Q13627 1/20 0.47
KDM4E B2RXH2 3/20 0.47
MAPT P10636 1/20 0.47
PTPN1 P18031 1/20 0.47
ALDH1A1 P00352 2/20 0.46
POLB P06746 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MITF O75030 1/20 0.46
APEX1 P27695 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
SCD O00767 1/20 0.46
ACP1 P24666 1/20 0.45
ABL1 P00519 1/20 0.45
LMNA P02545 1/20 0.44

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
SCHEMBL2423252 0.92 CSNK1D (0.60) CSNK1DRAB9ANPC1SMN1; SMN2TP53
Fumaric Acid SCHEMBL2380684 0.90 CSNK1D (0.67) CSNK1DRAB9ANPC1SMN1; SMN2TP53
Fumaric Acid SCHEMBL2380245 0.90 CSNK1D (0.45) CSNK1DRAB9ANPC1KDM4EMAPT
Fumaric Acid SCHEMBL2380818 0.87 NPC1 (0.46) CSNK1DRAB9ANPC1KDM4EMAPT
SCHEMBL2421008 0.82 CSNK1D (0.71) CSNK1DRAB9ANPC1SMN1; SMN2TP53
SCHEMBL2420475 0.81 CSNK1D (0.46) CSNK1DRAB9ANPC1KDM4EMAPT
SCHEMBL2450558 0.80 NPC1 (0.56) CSNK1DRAB9ANPC1SMN1; SMN2DYRK1A
Fumaric Acid SCHEMBL2381292 0.78 CSNK1D (0.69) CSNK1DRAB9ANPC1SMN1; SMN2TP53
SCHEMBL2426475 0.78 NPC1 (0.47) CSNK1DRAB9ANPC1KDM4EMAPT
SCHEMBL17287832 0.74 CSNK1D (1.00) CSNK1DRAB9ANPC1SMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170037016-A1 GUANIDINE COMPOUNDS AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBVIE DEUTSCHLAND (DE) 2017-02-09 US disclosed
US-9475782-B2 Guanidine compounds, and use thereof as binding partners for 5-HT5 receptors AbbVie Deutschland GmbH & Co. KG (DE) 2016-10-25 US disclosed
US-20130324537-A1 GUANIDINE COMPOUNDS, AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBOTT LABORATORIES (US) 2013-12-05 US disclosed
US-8481576-B2 Guanidine compounds, and use thereof as binding partners for 5-HT5 receptors ABBOTT GMBH & CO. KG (DE) 2013-07-09 US disclosed
US-8431604-B2 Guanidine compounds, and use thereof as binding partners for 5-HT5 receptors ABBOTT GMBH & CO. KG (DE) 2013-04-30 US disclosed
US-20110237589-A1 GUANIDINE COMPOUNDS, AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2011-09-29 US disclosed
US-20070299074-A1 Guanidine Compounds, and Use Thereof as Binding partners for 5-Ht5 Receptors ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2007-12-27 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 (4 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-20130324537-A1 GUANIDINE COMPOUNDS, AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, GRM5, TAAR5 KMT2A 4155/4885CSNK1D 4090/4885RAB9A 1420/4885
US-20170037016-A1 GUANIDINE COMPOUNDS AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, GRM5, GRK5 KMT2A 4154/4885CSNK1D 3915/4885RAB9A 1428/4885
US-20070299074-A1 Guanidine Compounds, and Use Thereof as Binding partners for 5-Ht5 Receptors HTR5A, GRM5, TAAR5 KMT2A 4155/4885CSNK1D 4090/4885RAB9A 1420/4885
US-20110237589-A1 GUANIDINE COMPOUNDS, AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, GRM5, TAAR5 KMT2A 4155/4885CSNK1D 4090/4885RAB9A 1420/4885

“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.