SCHEMBL8290629

SCHEMBL8290629

CC1=C(C#N)C(=O)N(CCO)C(=O)/C1=C\c1ccc(-c2ccc(C)c(Cl)c2)o1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.57
MAPT P10636 9/20 0.51
ALDH1A1 P00352 8/20 0.51
KMT2A Q03164 7/20 0.51
KDM4E B2RXH2 7/20 0.51
POLB P06746 7/20 0.51
MEN1 O00255 6/20 0.51
HPGD P15428 5/20 0.51
L3MBTL1 Q9Y468 4/20 0.51
MCL1 Q07820 3/20 0.51
RECQL P46063 2/20 0.51
ABL1 P00519 1/20 0.49
SRC P12931 1/20 0.49
TDP1 Q9NUW8 5/20 0.49
DNMT1 P26358 1/20 0.49
BLM P54132 1/20 0.49
NR4A1 P22736 1/20 0.47
AKT1 P31749 1/20 0.47
DUSP3 P51452 1/20 0.47
SIRT5 Q9NXA8 1/20 0.46

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
SCHEMBL8291240 0.83 ESR2 (0.84) ESR2MAPTALDH1A1KMT2AKDM4E
SCHEMBL12311902 0.83 ESR2 (0.51) ESR2MAPTALDH1A1KMT2AKDM4E
SCHEMBL14584108 0.83 ESR2 (0.62) ESR2MAPTALDH1A1KMT2AKDM4E
SCHEMBL14584255 0.81 SIRT2 (0.52) ESR2MAPTALDH1A1KMT2AKDM4E
SCHEMBL8291279 0.81 ESR2 (0.66) ESR2MAPTALDH1A1KMT2AKDM4E
SCHEMBL8290667 0.81 ESR2 (0.55) ESR2MAPTALDH1A1KMT2AKDM4E
SCHEMBL8290432 0.81 ESR2 (0.72) ESR2MAPTALDH1A1KMT2AKDM4E
SCHEMBL8290542 0.80 ESR2 (0.51) ESR2MAPTALDH1A1KMT2AKDM4E
SCHEMBL8291187 0.79 ESR2 (0.49) ESR2MAPTALDH1A1KMT2AKDM4E
SCHEMBL8290360 0.79 ESR2 (0.81) ESR2MAPTALDH1A1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20070037752-A1 Novel alanyl-amino peptidase inhibitors for functionally influencing different cells and treating immunological, inflammatory, neuronal, and other diseases DNPEP, PREP, ANPEP ESR2 2544/4885MAPT 1400/4885ALDH1A1 1025/4885

“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.