SCHEMBL8289598

SCHEMBL8289598

COc1ccc(C(=O)N/N=C\c2cc(Br)c(O)c(O)c2Br)cc1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 11/20 0.69
KMT2A Q03164 4/20 0.61
MAPT P10636 4/20 0.61
MEN1 O00255 3/20 0.61
KDM4E B2RXH2 2/20 0.61
ASF1A Q9Y294 2/20 0.61
MIF P14174 1/20 0.55
NPC1 O15118 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
LMNA P02545 1/20 0.55
HSP90AA1 P07900 1/20 0.55
HTT P42858 1/20 0.55
RAB9A P51151 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
MAPK1 P28482 2/20 0.54

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
SCHEMBL23752358 0.90 SIRT1 (0.83) SIRT1KMT2AMAPTMEN1KDM4E
SCHEMBL23752360 0.90 SIRT1 (0.83) SIRT1KMT2AMAPTMEN1KDM4E
SCHEMBL8289596 0.87 SIRT1 (0.61) SIRT1KMT2AMAPTMEN1KDM4E
SCHEMBL6571360 0.79 MAPT (0.74) KMT2AMAPTMEN1KDM4EMIF
SCHEMBL6571363 0.79 MAPT (0.74) KMT2AMAPTMEN1KDM4EMIF
SCHEMBL28423171 0.79 MAPT (0.74) KMT2AMAPTMEN1KDM4EMIF
SCHEMBL7949340 0.78 KMT2A (0.78) SIRT1KMT2AMAPTMEN1KDM4E
SCHEMBL7949337 0.78 KMT2A (0.78) SIRT1KMT2AMAPTMEN1KDM4E
SCHEMBL8289493 0.78 KMT2A (0.57) SIRT1KMT2AMAPTMEN1KDM4E
SCHEMBL683742 0.77 KMT2A (0.69) SIRT1KMT2AMAPTMEN1KDM4E

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 9 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
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 (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-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 SIRT1 3974/4885KMT2A 3636/4885MAPT 1296/4885
US-20070037752-A1 Novel alanyl-amino peptidase inhibitors for functionally influencing different cells and treating immunological, inflammatory, neuronal, and other diseases DNPEP, PREP, ANPEP SIRT1 4153/4885KMT2A 3390/4885MAPT 1400/4885

“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.