Fumaric Acid

Fumaric Acid

SCHEMBL3468612

CN1CCN(c2nc3ccc(Cl)cc3s2)CC1.O=C(O)/C=C/C(=O)O

nearest known ligand 0.65

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
NPC1 O15118 9/20 0.65
RAB9A P51151 8/20 0.65
MAPT P10636 3/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
ALOX15 P16050 1/20 0.55
HCRTR1 O43613 2/20 0.53
HCRTR2 O43614 2/20 0.53
PPARD Q03181 1/20 0.53
POLB P06746 1/20 0.53
CNR2 P34972 1/20 0.53
GALR3 O60755 1/20 0.51
GAA P10253 1/20 0.51
NR2F2 P24468 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51

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 SCHEMBL3468613 1.00 NPC1 (0.65) NPC1RAB9AMAPTSMN1; SMN2ALOX15
SCHEMBL14046555 0.90 NPC1 (0.74) NPC1RAB9AMAPTSMN1; SMN2HCRTR1
Fumaric Acid SCHEMBL3468731 0.86 NPC1 (0.61) NPC1RAB9AMAPTSMN1; SMN2HCRTR1
Fumaric Acid SCHEMBL3468728 0.86 NPC1 (0.61) NPC1RAB9AMAPTSMN1; SMN2HCRTR1
SCHEMBL23269717 0.85 NPC1 (0.75) NPC1RAB9AMAPTSMN1; SMN2HCRTR1
SCHEMBL27727271 0.83 NPC1 (0.74) NPC1RAB9AMAPTSMN1; SMN2HCRTR1
Fumaric Acid SCHEMBL3468680 0.80 MAPT (0.52) NPC1RAB9AMAPTSMN1; SMN2ALOX15
Fumaric Acid SCHEMBL3468677 0.80 MAPT (0.52) NPC1RAB9AMAPTSMN1; SMN2ALOX15
SCHEMBL6125241 0.79 NPC1 (0.57) NPC1RAB9AMAPTSMN1; SMN2CNR2
Hydrochloric Acid SCHEMBL3468835 0.78 NPC1 (0.56) NPC1RAB9AMAPTSMN1; SMN2CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298316-A1 Benzothiazoles Having Histamine H3 Receptor Activity HIGH POINT PHARMACEUTICALS, LLC 2010-11-25 US claimed
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 NPC1 3350/4885RAB9A 3540/4885MAPT 1467/4885
US-20130079340-A1 Benzothiazoles Having Histamine H3 Receptor Activity HRH3, HRH2, HRH4 NPC1 3474/4885RAB9A 3387/4885MAPT 1511/4885

“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.