Fumaric Acid

Fumaric Acid

SCHEMBL3468693

Cc1ccc2sc(N3CCNCC3)nc2c1.O=C(O)/C=C/C(=O)O

nearest known ligand 0.49

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 1/20 0.40
NPC1 O15118 7/20 0.49
RAB9A P51151 7/20 0.49
ALDH1A1 P00352 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
KDM4E B2RXH2 2/20 0.49
NFKB1 P19838 2/20 0.49
NFKB2 Q00653 2/20 0.49
RELA Q04206 2/20 0.49
GLA P06280 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 5/20 0.48
TP53 P04637 4/20 0.48
SCN4A P35499 2/20 0.46
SCN9A Q15858 2/20 0.46
CYP3A4 P08684 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HTR6 P50406 1/20 0.45
LMNA P02545 3/20 0.43
PMP22 Q01453 1/20 0.43

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 SCHEMBL3468694 1.00 NPC1 (0.49) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL20600096 0.90 SCN4A (0.51) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
Fumaric Acid SCHEMBL3468680 0.87 MAPT (0.52) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
Fumaric Acid SCHEMBL3468677 0.87 MAPT (0.52) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
Fumaric Acid SCHEMBL3468786 0.86 CNR2 (0.50) NPC1RAB9ASMN1; SMN2KDM4EMAPT
Fumaric Acid SCHEMBL3468788 0.86 CNR2 (0.50) NPC1RAB9ASMN1; SMN2KDM4EMAPT
SCHEMBL3232592 0.79 SCN4A (0.61) NPC1RAB9AALDH1A1SMN1; SMN2NFKB1
Fumaric Acid SCHEMBL3468731 0.79 NPC1 (0.61) NPC1RAB9ASMN1; SMN2MAPTSCN4A
Fumaric Acid SCHEMBL3468728 0.79 NPC1 (0.61) NPC1RAB9ASMN1; SMN2MAPTSCN4A
SCHEMBL8039956 0.77 AR (0.55) NPC1RAB9AALDH1A1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2009531376-A 2009-09-03 JP claimed
CN-101410385-A Benzothiazoles having histamine H3 receptor activity HIGH POINT PHARMACEUTICALS LLC (US) 2009-04-15 CN claimed
EP-1999120-A1 BENZOTHIAZOLES HAVING HISTAMINE H3 RECEPTOR ACTIVITY High Point Pharmaceuticals, LLC (US) 2008-12-10 EP claimed
WO-2007110364-A1 BENZOTHIAZOLES HAVING HISTAMINE H3 RECEPTOR ACTIVITY HIGH POINT PHARMACEUTICALS, LLC (US) 2007-10-04 WO claimed
US-8772285-B2 Benzothiazoles having histamine H3 receptor activity HIGH POINT PHARMACEUTICALS, LLC (US) 2014-07-08 US disclosed
US-20130079340-A1 Benzothiazoles Having Histamine H3 Receptor Activity VTVX HOLDINGS II LLC 2013-03-28 US disclosed
US-8394842-B2 Benzothiazoles having histamine H3 receptor activity HIGH POINT PHARMACEUTICALS, LLC (US) 2013-03-12 US disclosed
EP-1999120-B1 BENZOTHIAZOLES HAVING HISTAMINE H3 RECEPTOR ACTIVITY HIGH POINT PHARMACEUTICALS LLC (US) 2012-06-27 EP disclosed
CN-101410385-B Benzothiazoles having histamine H3 receptor activity HIGH POINT PHARMACEUTICALS LLC 2011-08-24 CN disclosed
US-20100298316-A1 Benzothiazoles Having Histamine H3 Receptor Activity HIGH POINT PHARMACEUTICALS, LLC 2010-11-25 US disclosed
CN-101410385-A Benzothiazoles having histamine H3 receptor activity HIGH POINT PHARMACEUTICALS LLC (US) 2009-04-15 CN disclosed
EP-1999120-A1 BENZOTHIAZOLES HAVING HISTAMINE H3 RECEPTOR ACTIVITY High Point Pharmaceuticals, LLC (US) 2008-12-10 EP disclosed
WO-2007110364-A1 BENZOTHIAZOLES HAVING HISTAMINE H3 RECEPTOR ACTIVITY HIGH POINT PHARMACEUTICALS, LLC (US) 2007-10-04 WO 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-20100298316-A1 Benzothiazoles Having Histamine H3 Receptor Activity HRH3, HRH2, HRH4 KMT2A 249/4885NPC1 3350/4885RAB9A 3540/4885
US-20130079340-A1 Benzothiazoles Having Histamine H3 Receptor Activity HRH3, HRH2, HRH4 KMT2A 189/4885NPC1 3474/4885RAB9A 3387/4885

“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.