SCHEMBL2841797

SCHEMBL2841797

C[CH]C(=O)N1CCN(Cc2ccccc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.60
KMT2A Q03164 3/20 0.60
LMNA P02545 3/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
MEN1 O00255 2/20 0.60
GPR183 P32249 1/20 0.59
KDM4E B2RXH2 2/20 0.59
MAPT P10636 2/20 0.59
HTT P42858 1/20 0.59
SIGMAR1 Q99720 1/20 0.58
MAPK1 P28482 2/20 0.57
FAAH O00519 1/20 0.57
TSHR P16473 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
PHGDH O43175 1/20 0.55
MGLL Q99685 1/20 0.55

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
SCHEMBL9510221 0.85 ALDH1A1 (0.62) ALDH1A1KMT2ALMNASMN1; SMN2MEN1
SCHEMBL3026415 0.83 SIGMAR1 (0.66) ALDH1A1KDM4ESIGMAR1FAAH
SCHEMBL1943497 0.81 HRH3 (0.75) ALDH1A1KMT2ALMNASMN1; SMN2MEN1
SCHEMBL10825084 0.81 ALDH1A1 (0.70) ALDH1A1KMT2ALMNASMN1; SMN2MEN1
SCHEMBL27791391 0.81 ALDH1A1 (0.70) ALDH1A1KMT2ALMNASMN1; SMN2MEN1
SCHEMBL2850013 0.81 ALDH1A1 (0.70) ALDH1A1KMT2ALMNASMN1; SMN2MEN1
SCHEMBL5707169 0.80 MEN1 (0.85) ALDH1A1KMT2ALMNASMN1; SMN2MEN1
SCHEMBL3159223 0.80 MEN1 (0.85) ALDH1A1KMT2ALMNASMN1; SMN2MEN1
SCHEMBL611401 0.80 ALDH1A1 (0.68) ALDH1A1KMT2ALMNASMN1; SMN2MEN1
SCHEMBL1393985 0.79 ALDH1A1 (0.72) ALDH1A1KMT2ALMNASMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8785443-B2 Methods of using prodrugs of methyl hydrogen fumarate and pharmaceutical compositions thereof XENOPORT, INC. (US) 2014-07-22 US claimed
WO-2014031901-A1 METHODS OF USE FOR MONOMETHYL FUMARATE AND PRODRUGS THEREOF XENOPORT, INC. (US) 2014-02-27 WO claimed
US-20140057918-A1 Methods of Use for Monomethyl Fumarate and Prodrugs Thereof XENOPORT, INC. (US) 2014-02-27 US claimed
WO-2010022177-A2 PRODRUGS OF METHYL HYDROGEN FUMARATE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE XENOPORT, INC. (US) 2010-02-25 WO claimed
US-20100048651-A1 PRODRUGS OF METHYL HYDROGEN FUMARATE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE XENOPORT, INC. (US) 2010-02-25 US claimed
US-20240240229-A1 METHODS OF ADMINISTERING MONOMETHYL FUMARATE AND PRODRUGS THEREOF HAVING REDUCED SIDE EFFECTS HPS INVESTMENT PARTNERS, LLC, AS ADMINISTRATIVE AGENT 2024-07-18 US disclosed
US-20210228525-A1 Methods of Administering Monomethyl Fumarate and Prodrugs Thereof Having Reduced Side Effects ARBOR PHARMACEUTICALS, LLC 2021-07-29 US disclosed
US-10945984-B2 Methods of administering monomethyl fumarate and prodrugs thereof having reduced side effects ARBOR PHARMACEUTICALS, LLC (US) 2021-03-16 US disclosed
US-10463642-B2 Methods of treating heart failure diseases using prodrugs of methyl hydrogen fumarate RAJASEKHAR VIJAYKUMAR (US) 2019-11-05 US disclosed
US-20170216242-A1 METHODS OF TREATING HEART FAILURE DISEASES USING PRODRUGS OF METHYL HYDROGEN FUMARATE RAJASEKHAR VIJAYKUMAR (US) 2017-08-03 US disclosed
WO-2016182898-A1 METHODS OF USE FOR MONOMETHYL FUMARATE AND PRODRUGS THEREOF XENOPORT, INC. (US) 2016-11-17 WO disclosed
US-9452972-B2 Methods of using prodrugs of methyl hydrogen fumarate and pharmaceutical compositions thereof XENOPORT, INC. (US) 2016-09-27 US disclosed
WO-2014031844-A1 METHODS OF ADMINISTERING MONOMETHYL FUMARATE AND PRODRUGS THEREOF HAVING REDUCED SIDE EFFECTS XENOPORT, INC. (US) 2014-02-27 WO disclosed
US-20140057918-A1 Methods of Use for Monomethyl Fumarate and Prodrugs Thereof XENOPORT, INC. (US) 2014-02-27 US disclosed
WO-2014031901-A1 METHODS OF USE FOR MONOMETHYL FUMARATE AND PRODRUGS THEREOF XENOPORT, INC. (US) 2014-02-27 WO disclosed
US-20140057917-A1 Methods of Administering Monomethyl Fumarate and Prodrugs Thereof Having Reduced Side Effects XENOPORT, INC. (US) 2014-02-27 US disclosed
EP-2650279-A2 Prodrugs of methyl hydrogen fumarate, pharmaceutical compositions thereof, and methods of use XenoPort, Inc. (US) 2013-10-16 EP disclosed
US-20120157523-A1 PRODRUGS OF METHYL HYDROGEN FUMARATE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE XENOPORT, INC. (US) 2012-06-21 US disclosed
WO-2010022177-A2 PRODRUGS OF METHYL HYDROGEN FUMARATE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE XENOPORT, INC. (US) 2010-02-25 WO disclosed
US-20100048651-A1 PRODRUGS OF METHYL HYDROGEN FUMARATE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE XENOPORT, INC. (US) 2010-02-25 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 (9 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-20120157523-A1 PRODRUGS OF METHYL HYDROGEN FUMARATE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE FH, MGMT, BHMT2 ALDH1A1 2050/4885KMT2A 242/4885LMNA 4568/4885
US-20140057917-A1 Methods of Administering Monomethyl Fumarate and Prodrugs Thereof Having Reduced Side Effects FH, FAH, ALDOA ALDH1A1 626/4885KMT2A 578/4885LMNA 2857/4885
US-10945984-B2 Methods of administering monomethyl fumarate and prodrugs thereof having reduced side effects FH, FAH, ALDOA ALDH1A1 626/4885KMT2A 578/4885LMNA 2857/4885
US-10463642-B2 Methods of treating heart failure diseases using prodrugs of methyl hydrogen fumarate FH, HMGCR, HPGD ALDH1A1 1730/4885KMT2A 1017/4885LMNA 2410/4885
US-20140057918-A1 Methods of Use for Monomethyl Fumarate and Prodrugs Thereof FH, FAH, DHFR ALDH1A1 1063/4885KMT2A 797/4885LMNA 2518/4885
US-20240240229-A1 METHODS OF ADMINISTERING MONOMETHYL FUMARATE AND PRODRUGS THEREOF HAVING REDUCED SIDE EFFECTS GSTM1, GSTM2, GSTA1 ALDH1A1 635/4885KMT2A 438/4885LMNA 4660/4885
US-20100048651-A1 PRODRUGS OF METHYL HYDROGEN FUMARATE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE FH, MGMT, BHMT2 ALDH1A1 2050/4885KMT2A 242/4885LMNA 4568/4885
US-20210228525-A1 Methods of Administering Monomethyl Fumarate and Prodrugs Thereof Having Reduced Side Effects FH, FAH, ALDOA ALDH1A1 626/4885KMT2A 578/4885LMNA 2857/4885
US-20170216242-A1 METHODS OF TREATING HEART FAILURE DISEASES USING PRODRUGS OF METHYL HYDROGEN FUMARATE FH, HMGCR, HPGD ALDH1A1 1730/4885KMT2A 1017/4885LMNA 2410/4885

“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.