SCHEMBL6289366

SCHEMBL6289366

CN1C(=O)C(Cc2ccccc2)C(=O)c2nc(C#CCc3ccccc3)[nH]c21

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CES2 O00748 5/20 0.38
KDM4C Q9H3R0 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PLA2G10 O15496 1/20 0.34
PLA2G5 P39877 1/20 0.34
EP300 Q09472 1/20 0.33
PDE5A O76074 1/20 0.33
BRD4 O60885 2/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CREBBP Q92793 1/20 0.32
GRIN1 Q05586 1/20 0.32

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
SCHEMBL6289384 0.89 KDM4C (0.33) CES2KDM4CMEN1KMT2AALDH1A1
SCHEMBL6826383 0.78 CES2 (0.40) CES2KDM4CMEN1KMT2AKDM4E
SCHEMBL6288759 0.73 CNR2 (0.44) KDM4EBRD4ALDH1A1MAPT
SCHEMBL6289358 0.69 CES2 (0.38) CES2KDM4CMEN1KMT2AL3MBTL1
SCHEMBL6288793 0.67 ALDH1A1 (0.33) CES2KDM4CMEN1KMT2AALDH1A1
SCHEMBL6288803 0.67 KDM4C (0.33) CES2KDM4CMEN1KMT2AALDH1A1
SCHEMBL6289387 0.65 MMP13 (0.39) ALDH1A1
SCHEMBL4435666 0.64 KMT2A (0.72) CES2KDM4CMEN1KMT2AKDM4E
SCHEMBL17070921 0.63 KDM4E (0.69) CES2KDM4CMEN1KMT2AKDM4E
SCHEMBL6292799 0.63 CES2 (0.38) CES2KDM4CMEN1KMT2AKDM4E

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-6949651-B2 Fused bicyclic metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2005-09-27 US disclosed
US-20040034054-A1 Fused bicyclic metalloproteinase inhibitors LINCOLN FOODSERVICE PRODUCTS INC. 2004-02-19 US disclosed
WO-2004014375-A2 FUSED BICYCLIC METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 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-20040034054-A1 Fused bicyclic metalloproteinase inhibitors MMP9, MMP1, MMP2 CES2 1671/4885KDM4C 1177/4885MEN1 2588/4885

“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.