SCHEMBL47678

SCHEMBL47678

CCC(=O)NCCN(C)C

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.60
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA12 O43570 1/20 0.45
CA9 Q16790 1/20 0.45
MAPK1 P28482 1/20 0.43
LGALS1 P09382 1/20 0.42
ALDH1A1 P00352 3/20 0.42
NPSR1 Q6W5P4 1/20 0.41
USP2 O75604 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
ACKR3 P25106 1/20 0.41

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
SCHEMBL1456344 1.00 DNM1 (0.60) DNM1MEN1KMT2ACA1CA2
Hydrochloric Acid SCHEMBL21197510 0.98 DNM1 (0.58) DNM1MEN1KMT2ACA1CA2
SCHEMBL13033269 0.87 MEN1 (0.50) DNM1MEN1KMT2ACA1CA2
SCHEMBL7159679 0.86 MEN1 (0.67) DNM1MEN1KMT2A
SCHEMBL16316426 0.86 MEN1 (0.58) DNM1MEN1KMT2ALGALS1ALDH1A1
Hydrochloric Acid SCHEMBL30988427 0.85 MEN1 (0.64) DNM1MEN1KMT2AALDH1A1
SCHEMBL25751510 0.85 MEN1 (0.71) DNM1MEN1KMT2AALDH1A1
SCHEMBL16316310 0.83 KMT2A (0.61) DNM1MEN1KMT2ACA1CA2
SCHEMBL13584322 0.83 DNM1 (0.57) DNM1CA1CA2CA12CA9
SCHEMBL16384405 0.83 MEN1 (0.68) DNM1MEN1KMT2AALDH1A1

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 174 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-8420820-B2 Pyrrolopyridinylpyrimidin-2-ylamine derivatives MERCK PATENT GMBH (DE) 2013-04-16 US claimed
JP-2012500285-A 2012-01-05 JP claimed
US-20110218198-A1 Pyrrolopyridinylpyrimidin-2-ylamine derivatives MERCK PATENT GESELLSCHAFT (DE) 2011-09-08 US claimed
EP-2334378-A2 PRODRUGS OF METHYL HYDROGEN FUMARATE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE XenoPort, Inc. (US) 2011-06-22 EP 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-4326067-A FROM OXAZOLINE WITH AN AMINE THE DOW CHEMICAL COMPANY (US) 1982-04-20 US claimed
CN-119841829-A Compounds for the treatment of PI3K gamma mediated diseases and uses thereof 中国科学院合肥物质科学研究院 2025-04-18 CN disclosed
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-20230149399-A1 TREATMENT OF CANCER, INFLAMMATORY DISEASES AND AUTOIMMUNE DISEASES USHER III INITIATIVE, INC. 2023-05-18 US disclosed
US-20230149399-A1 TREATMENT OF CANCER, INFLAMMATORY DISEASES AND AUTOIMMUNE DISEASES USHER III INITIATIVE, INC. 2023-05-18 US disclosed
WO-2023078230-A1 ANTIBODY-DRUG CONJUGATE INTERMEDIATE COMPRISING SN38 AND PREPARATION METHOD THEREFOR 烟台迈百瑞国际生物医药股份有限公司 2023-05-11 WO disclosed
EP-0090063-B1 PROCESS FOR MAKING N-(2-AMINOETHYL)AMIDES FROM OXAZOLINES AND AMINES THE DOW CHEMICAL COMPANY (US) 1985-09-11 EP disclosed
US-4515923-A HYDROLYSIS OF POLYISOCYANATES BAYER AKTIENGESELLSCHAFT (DE) 1985-05-07 US disclosed
EP-0097298-A2 Polyamines, process for producing polyamines and their use in the production of polyurethanes BAYER AG (DE) 1984-01-04 EP disclosed
EP-0097299-A2 Polyamines, process for producing polyamines and their use in the production of polyurethanes BAYER AG (DE) 1984-01-04 EP disclosed
EP-0090063-A1 Process for making N-(2-aminoethyl)amides from oxazolines and amines THE DOW CHEMICAL COMPANY (US) 1983-10-05 EP disclosed
US-4326067-A FROM OXAZOLINE WITH AN AMINE THE DOW CHEMICAL COMPANY (US) 1982-04-20 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-20110218198-A1 Pyrrolopyridinylpyrimidin-2-ylamine derivatives MKI67, CCNT1, CCNI DNM1 1159/4885MEN1 835/4885KMT2A 1652/4885
US-20240240229-A1 METHODS OF ADMINISTERING MONOMETHYL FUMARATE AND PRODRUGS THEREOF HAVING REDUCED SIDE EFFECTS GSTM1, GSTM2, GSTA1 DNM1 1515/4885MEN1 1620/4885KMT2A 438/4885
US-20100048651-A1 PRODRUGS OF METHYL HYDROGEN FUMARATE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE FH, MGMT, BHMT2 DNM1 2837/4885MEN1 887/4885KMT2A 242/4885
US-20230149399-A1 TREATMENT OF CANCER, INFLAMMATORY DISEASES AND AUTOIMMUNE DISEASES TNF, HLA-DRB1, GSTK1 DNM1 4341/4885MEN1 1615/4885KMT2A 1482/4885

“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.