Fumaric Acid

Fumaric Acid

SCHEMBL2380684

COc1ccccc1CNC(=N)Nc1nc2ccc(C)cc2s1.O=C(O)/C=C/C(=O)O

nearest known ligand 0.67

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 15)

geneUniProtsupporting neighboursconfidence
KMT2A known ✓ Q03164 1/20 0.46
CSNK1D P48730 9/20 0.67
MAOB P27338 1/20 0.53
RAB9A P51151 3/20 0.52
NPC1 O15118 2/20 0.52
TP53 P04637 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
LMNA P02545 1/20 0.48
DYRK1A Q13627 1/20 0.47
ABL1 P00519 1/20 0.47
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
PTPN1 P18031 1/20 0.46
OPRK1 P41145 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL2421008 0.93 CSNK1D (0.71) CSNK1DMAOBRAB9ANPC1TP53
Fumaric Acid SCHEMBL2379209 0.90 CSNK1D (0.58) CSNK1DRAB9ANPC1TP53SMN1; SMN2
Fumaric Acid SCHEMBL2381292 0.88 CSNK1D (0.69) CSNK1DRAB9ANPC1TP53SMN1; SMN2
SCHEMBL2423252 0.82 CSNK1D (0.60) CSNK1DRAB9ANPC1TP53SMN1; SMN2
SCHEMBL2379500 0.81 NPC1 (0.56) CSNK1DMAOBRAB9ANPC1SMN1; SMN2
SCHEMBL17287832 0.81 CSNK1D (1.00) CSNK1DRAB9ANPC1TP53SMN1; SMN2
Fumaric Acid SCHEMBL2380245 0.80 CSNK1D (0.45) CSNK1DRAB9ANPC1LMNAABL1
SCHEMBL2423311 0.80 CSNK1D (0.73) CSNK1DRAB9ANPC1TP53SMN1; SMN2
Fumaric Acid SCHEMBL2380818 0.77 NPC1 (0.46) CSNK1DRAB9ANPC1ABL1MAPT
SCHEMBL2446393 0.74 NPC1 (0.55) CSNK1DMAOBRAB9ANPC1SMN1; SMN2

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 4090/4885MAOB 110/4885
US-20170037016-A1 GUANIDINE COMPOUNDS AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, GRM5, GRK5 KMT2A 4154/4885CSNK1D 3915/4885MAOB 131/4885
US-20070299074-A1 Guanidine Compounds, and Use Thereof as Binding partners for 5-Ht5 Receptors HTR5A, GRM5, TAAR5 KMT2A 4155/4885CSNK1D 4090/4885MAOB 110/4885
US-20110237589-A1 GUANIDINE COMPOUNDS, AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, GRM5, TAAR5 KMT2A 4155/4885CSNK1D 4090/4885MAOB 110/4885

“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.