SCHEMBL4155438

SCHEMBL4155438

CC(=O)NNC(=O)c1ccc(Cl)nn1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
JUN P05412 1/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
TP53 P04637 1/20 0.44
POLB P06746 3/20 0.41
ALDH1A1 P00352 4/20 0.40
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 6/20 0.35
TLR7 Q9NYK1 2/20 0.35
HTT P42858 1/20 0.35
LMNA P02545 2/20 0.34
KMT2A Q03164 2/20 0.34
GAA P10253 2/20 0.34
MAPK1 P28482 1/20 0.33
MEN1 O00255 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL667384 0.79 NFKB1 (0.51) JUNNFKB1NFKB2RELAPOLB
SCHEMBL1070960 0.77 JUN (0.44) JUNNFKB1NFKB2RELAPOLB
SCHEMBL31306809 0.76 P2RX7 (0.52) JUNNFKB1NFKB2RELAPOLB
SCHEMBL8600253 0.76 P2RX7 (0.52) JUNNFKB1NFKB2RELAPOLB
SCHEMBL6418676 0.75 JUN (0.51) JUNNFKB1NFKB2RELAPOLB
SCHEMBL6983154 0.75 JUN (0.48) JUNNFKB1NFKB2RELATP53
SCHEMBL29988880 0.75 NFKB1 (0.48) JUNNFKB1NFKB2RELAPOLB
SCHEMBL20152022 0.75 JUN (0.48) JUNNFKB1NFKB2RELAPOLB
SCHEMBL20460466 0.75 JUN (0.48) JUNNFKB1NFKB2RELAPOLB
SCHEMBL7003435 0.74 JUN (0.50) JUNNFKB1NFKB2RELAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090170828-A1 Azetidine Derivatives as Inhibitors of Stearoyl-Coenzyme a Delta-9 Desaturase MERCK FROSST CANADA LTD. (CA) 2009-07-02 US disclosed
US-20090170828-A1 Azetidine Derivatives as Inhibitors of Stearoyl-Coenzyme a Delta-9 Desaturase MERCK FROSST CANADA LTD. (CA) 2009-07-02 US disclosed
US-20090170828-A1 Azetidine Derivatives as Inhibitors of Stearoyl-Coenzyme a Delta-9 Desaturase MERCK FROSST CANADA LTD. (CA) 2009-07-02 US disclosed
US-20090124651-A1 CATECHOLAMINE DERIVATIVES AND PRODRUGS THEREOF H. LUNDBECK A/S (DK) 2009-05-14 US disclosed
WO-2007143823-A1 AZETIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2007-12-21 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-20090170828-A1 Azetidine Derivatives as Inhibitors of Stearoyl-Coenzyme a Delta-9 Desaturase SCD, SCD5, FASN JUN 2238/4885NFKB1 2515/4885NFKB2 2827/4885
US-20090124651-A1 CATECHOLAMINE DERIVATIVES AND PRODRUGS THEREOF COMT, ADRB3, ADRB1 JUN 3824/4885NFKB1 3030/4885NFKB2 3687/4885

“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.