SCHEMBL8291312

SCHEMBL8291312

C=CCOC(=O)c1cc(-c2ccc(/C=C3/C(=O)N(CCCO)C(=O)C(C#N)=C3C)o2)ccc1Cl

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.72
ALDH1A1 P00352 6/20 0.72
KDM4E B2RXH2 6/20 0.72
POLB P06746 5/20 0.72
MEN1 O00255 4/20 0.72
TDP1 Q9NUW8 4/20 0.72
HPGD P15428 3/20 0.72
RECQL P46063 3/20 0.72
MAPT P10636 3/20 0.72
MCL1 Q07820 2/20 0.72
DNMT1 P26358 1/20 0.72
BLM P54132 1/20 0.72
ESR2 Q92731 1/20 0.66
L3MBTL1 Q9Y468 4/20 0.60
XPA P23025 8/20 0.57
GSK3A P49840 3/20 0.53
GSK3B P49841 3/20 0.53
APEX1 P27695 3/20 0.47
NTSR1 P30989 1/20 0.47
GALK1 P51570 1/20 0.47

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
SCHEMBL8290432 0.92 ESR2 (0.72) KMT2AALDH1A1KDM4EPOLBMEN1
SCHEMBL8290360 0.90 ESR2 (0.81) KMT2AALDH1A1KDM4EPOLBMEN1
SCHEMBL8291279 0.90 ESR2 (0.66) KMT2AALDH1A1KDM4EPOLBMEN1
SCHEMBL14584108 0.89 ESR2 (0.62) KMT2AALDH1A1KDM4EPOLBMEN1
SCHEMBL8291360 0.89 ALDH1A1 (0.59) KMT2AALDH1A1KDM4EPOLBMEN1
SCHEMBL8291240 0.85 ESR2 (0.84) KMT2AALDH1A1KDM4EPOLBMEN1
SCHEMBL19419927 0.83 ESR2 (0.69) KMT2AALDH1A1KDM4EPOLBMEN1
SCHEMBL8302397 0.79 ESR2 (0.71) KMT2AALDH1A1KDM4EPOLBMEN1
SCHEMBL12311905 0.79 ESR2 (0.78) KMT2AALDH1A1KDM4EPOLBMEN1
SCHEMBL8290540 0.78 SIRT2 (0.51) KMT2AALDH1A1KDM4EPOLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8263636-B2 Dual alanyl aminopeptidase and dipeptidyl peptidase iv inhibitors for functionally influencing different cells and for treating immunological inflammatory, neuronal and other diseases IMTM GMBH (DE) 2012-09-11 US disclosed
US-8263636-B2 Dual alanyl aminopeptidase and dipeptidyl peptidase iv inhibitors for functionally influencing different cells and for treating immunological inflammatory, neuronal and other diseases IMTM GMBH (DE) 2012-09-11 US disclosed
EP-2105441-A1 Alanyl aminopeptidase and dipeptidylpeptidase IV dual inhibitors for the treatment of immunological, inflammatory, neuronal and other illnesses IMTM GmbH (DE) 2009-09-30 EP disclosed
US-20070078130-A1 Dual alanyl aminopeptidase and dipeptidyl peptidase iv inhibitors for functionally influencing different cells and for treating immunological inflammatory, neuronal and other diseases KEYNEUROTEK PHARMACEUTICALS AG (DE) 2007-04-05 US disclosed
US-20070078130-A1 Dual alanyl aminopeptidase and dipeptidyl peptidase iv inhibitors for functionally influencing different cells and for treating immunological inflammatory, neuronal and other diseases KEYNEUROTEK PHARMACEUTICALS AG (DE) 2007-04-05 US disclosed
US-20070037752-A1 Novel alanyl-amino peptidase inhibitors for functionally influencing different cells and treating immunological, inflammatory, neuronal, and other diseases KEYNEUROTEK PHARMACEUTICALS AG (DE) 2007-02-15 US disclosed
US-20070037752-A1 Novel alanyl-amino peptidase inhibitors for functionally influencing different cells and treating immunological, inflammatory, neuronal, and other diseases KEYNEUROTEK PHARMACEUTICALS AG (DE) 2007-02-15 US disclosed
US-20070037785-A1 Novel dipeptidyl peptidase IV inhibitors used for functionally influencing different cells and treating immunological, infammatory, neuronal, and other diseases KEYNEUROTEK PHARMACEUTICALS AG (DE) 2007-02-15 US disclosed
US-20070037785-A1 Novel dipeptidyl peptidase IV inhibitors used for functionally influencing different cells and treating immunological, infammatory, neuronal, and other diseases KEYNEUROTEK PHARMACEUTICALS AG (DE) 2007-02-15 US disclosed
WO-2005037779-A2 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS USED FOR FUNCTIONALLY INFLUENCING DIFFERENT CELLS AND TREATING IMMUNOLOGICAL, INFLAMMATORY, NEURONAL, AND OTHER DISEASES IMTM GMBH (DE) 2005-04-28 WO disclosed
WO-2005037257-A2 NOVEL ALANYL-AMINO PEPTIDASE INHIBITORS FOR FUNCTIONALLY INFLUENCING DIFFERENT CELLS AND TREATING IMMUNOLOGICAL, INFLAMMATORY, NEURONAL, AND OTHER DISEASES IMTM GMBH (DE) 2005-04-28 WO disclosed
WO-2005034940-A2 DUAL ALANYL AMINOPEPTIDASE AND DIPEPTIDYL PEPTIDASE IV INHIBITORS FOR FUNCTIONALLY INFLUENCING DIFFERENT CELLS AND FOR TREATING IMMUNOLOGICAL, INFLAMMATORY, NEURONAL AND OTHER DISEASES IMTM GMBH (DE) 2005-04-21 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 (3 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-20070037785-A1 Novel dipeptidyl peptidase IV inhibitors used for functionally influencing different cells and treating immunological, infammatory, neuronal, and other diseases DNPEP, PREP, DPP4 KMT2A 4135/4885ALDH1A1 1472/4885KDM4E 3785/4885
US-20070078130-A1 Dual alanyl aminopeptidase and dipeptidyl peptidase iv inhibitors for functionally influencing different cells and for treating immunological inflammatory, neuronal and other diseases DNPEP, PREP, ANPEP KMT2A 3636/4885ALDH1A1 1151/4885KDM4E 3398/4885
US-20070037752-A1 Novel alanyl-amino peptidase inhibitors for functionally influencing different cells and treating immunological, inflammatory, neuronal, and other diseases DNPEP, PREP, ANPEP KMT2A 3390/4885ALDH1A1 1025/4885KDM4E 3461/4885

“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.