Fumaric Acid

Fumaric Acid

SCHEMBL194797

CN1C(=O)Cc2cnc(N3CCCCC3)nc21.O=C(O)/C=C/C(=O)O

nearest known ligand 0.42

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 0.34
HRH1 known ✓ P35367 1/20 0.33
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 5/20 0.40
CASP1 P29466 2/20 0.37
LMNA P02545 1/20 0.37
GBA1 P04062 1/20 0.37
TSHR P16473 2/20 0.36
HSP90AA1 P07900 2/20 0.36
PTPN11 Q06124 1/20 0.35
MAPK1 P28482 2/20 0.34
INMT O95050 2/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 0.33
CYP1A2 P05177 1/20 0.33
CASP7 P55210 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ATF1 P18846 1/20 0.33

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
Maleic Acid SCHEMBL2882692 1.00 POLB (0.42) POLBSMN1; SMN2ALDH1A1CASP1LMNA
SCHEMBL1844792 0.90 POLB (0.43) POLBSMN1; SMN2ALDH1A1CASP1LMNA
Maleic Acid SCHEMBL2880482 0.88 HSD17B10 (0.41) SMN1; SMN2ALDH1A1CASP1LMNATSHR
Maleic Acid SCHEMBL8579856 0.85 MAPK8 (0.35) ALDH1A1CASP1LMNATSHRPTPN11
SCHEMBL1845477 0.81 ALDH1A1 (0.49) ALDH1A1CASP1LMNATSHRMAPK1
SCHEMBL1848808 0.79 SMO (0.46) POLBSMN1; SMN2ALDH1A1CASP1GBA1
SCHEMBL1848137 0.77 KDM4E (0.51) POLBALDH1A1CASP1TSHRMAPK1
SCHEMBL1848688 0.77 ALDH1A1 (0.37) ALDH1A1CASP1TSHRPTPN11MAPK1
SCHEMBL1847339 0.77 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1CASP1LMNATSHR
Fumaric Acid SCHEMBL9298939 0.76 IDH1 (0.48) HSP90AA1MAPK1HRH4

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170129915-A1 THERAPEUTIC AGENT FOR DISEASES ASSOCIATED WITH NERVE AXON DYSFUNCTION, INCLUDING THERAPEUTIC AGENT FOR ALZHEIMER'S DISEASE RESILIO COMPANY LIMITED (JP) 2017-05-11 US disclosed
US-9453000-B2 Polycyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-09-27 US disclosed
EP-2946792-A1 THERAPEUTIC AGENT AND THERAPEUTIC METHOD RELATING TO 1,25D3-MARRS FOR NEUROLOGICAL DISEASE SUCH AS ALZHEIMER'S DISEASE& xA; Resilio Company Limited (JP) 2015-11-25 EP disclosed
US-20150126464-A1 THERAPEUTIC DRUG AND THERAPEUTIC METHOD FOR NEUROLOGICAL DISEASES INCLUDING ALZHEIMER'S DISEASE ASSOCIATED WITH 1,25D3-MARRS RESILIO COMPANY LIMITED (JP) 2015-05-07 US disclosed
EP-2559693-B1 Polycyclic compound EISAI R&D MAN CO LTD (JP) 2014-11-26 EP disclosed
CN-102333777-B Nitrogen-containing fused heterocyclic compounds and their use as beta-amyloid production inhibitors EISAI R&D MAN CO LTD 2014-06-25 CN disclosed
US-8754100-B2 Nitrogen-containing fused heterocyclic compounds and their use as beta amyloid production inhibitors EISAI R&D MANAGEMENT CO., LTD. (JP) 2014-06-17 US disclosed
CN-101815713-B Polycyclic compounds EISAI R&D MAN CO LTD 2013-09-11 CN disclosed
EP-2615090-A1 Nitrogen-containing fused heterocyclic compounds and their use as beta amyloid production inhibitors Eisai R&D Management Co., Ltd. (JP) 2013-07-17 EP disclosed
EP-2401276-B1 NITROGEN-CONTAINING FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS BETA AMYLOID PRODUCTION INHIBITORS EISAI R&D MAN CO LTD (JP) 2013-06-05 EP disclosed
US-20110065696-A1 IMIDAZOYL PYRIDINE COMPOUNDS AND SALTS THEREOF KIMURA TEIJI 2011-03-17 US disclosed
US-20110009619-A1 POLYCYCLIC COMPOUND EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-01-13 US disclosed
WO-2010098495-A1 IMIDAZOLYLPYRAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-09-02 WO disclosed
WO-2010098487-A1 NITROGEN-CONTAINING FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS BETA AMYLOID PRODUCTION INHIBITORS EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-09-02 WO disclosed
WO-2010098488-A1 ARYL IMIDAZOLE COMPOUNDS AND THEIR USE AS BETA AMYLOID PRODUCTION INHIBITORS EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-09-02 WO disclosed
US-20100130537-A1 CINNAMIDE COMPOUNDS FOR DEMENTIA EISAI R&D MANAGEMENT CO., LTD (JP) 2010-05-27 US disclosed
EP-2181992-A1 POLYCYCLIC COMPOUND Eisai R&D Management Co., Ltd. (JP) 2010-05-05 EP disclosed
EP-2148673-A1 CINNAMIDE COMPOUNDS FOR DEMENTIA Eisai R&D Management Co., Ltd. (JP) 2010-02-03 EP disclosed
US-20090062529-A1 MULTI-CYCLIC COMPOUNDS EISAI R&D MANAGEMENT CO., LTD., (JP) 2009-03-05 US disclosed
WO-2008139984-A1 CINNAMIDE COMPOUNDS FOR DEMENTIA EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-11-20 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 (6 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-20100130537-A1 CINNAMIDE COMPOUNDS FOR DEMENTIA GRIN1, GRIN2A, GRIN3A KMT2A 183/4885HRH1 742/4885POLB 4003/4885
US-20110009619-A1 POLYCYCLIC COMPOUND APP, BACE1, PSEN1 KMT2A 1666/4885HRH1 224/4885POLB 4267/4885
US-20170129915-A1 THERAPEUTIC AGENT FOR DISEASES ASSOCIATED WITH NERVE AXON DYSFUNCTION, INCLUDING THERAPEUTIC AGENT FOR ALZHEIMER'S DISEASE GAP43, NGF, BDNF KMT2A 4685/4885HRH1 3123/4885POLB 2718/4885
US-20150126464-A1 THERAPEUTIC DRUG AND THERAPEUTIC METHOD FOR NEUROLOGICAL DISEASES INCLUDING ALZHEIMER'S DISEASE ASSOCIATED WITH 1,25D3-MARRS BDNF, BACE1, GAP43 KMT2A 3851/4885HRH1 1544/4885POLB 1573/4885
US-20110065696-A1 IMIDAZOYL PYRIDINE COMPOUNDS AND SALTS THEREOF APP, PSEN1, BACE1 KMT2A 2241/4885HRH1 167/4885POLB 4605/4885
US-20090062529-A1 MULTI-CYCLIC COMPOUNDS APP, BACE1, PSEN1 KMT2A 2179/4885HRH1 305/4885POLB 3970/4885

“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.