SCHEMBL353555

SCHEMBL353555

CN(Cc1nsc(NC(=O)NCc2cccc(F)c2)n1)C(=O)c1cnn(C)c1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATG4B Q9Y4P1 8/20 0.49
ROCK2 O75116 2/20 0.42
ROCK1 Q13464 1/20 0.42
NAMPT P43490 3/20 0.38
AURKA O14965 2/20 0.37
AURKB Q96GD4 2/20 0.37
CDK8 P49336 1/20 0.37
NPC1 O15118 1/20 0.37
GFER P55789 1/20 0.36
CDK2 P24941 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
DYRK1A Q13627 1/20 0.36
HIPK4 Q8NE63 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
PPARG P37231 1/20 0.36
EPHX2 P34913 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL19119070 0.90 ATG4B (0.48) ATG4BROCK2ROCK1NAMPTAURKA
SCHEMBL352768 0.88 ATG4B (0.49) ATG4BROCK2ROCK1NAMPT
SCHEMBL353094 0.88 ROCK2 (0.42) ATG4BROCK2ROCK1NAMPTAURKA
SCHEMBL353121 0.82 ATG4B (0.36) ATG4BAURKBNPC1CDK2GSK3A
SCHEMBL354138 0.81 ROCK2 (0.43) ATG4BROCK2ROCK1NAMPTAURKA
SCHEMBL354447 0.80 ROCK2 (0.51) ATG4BROCK2ROCK1NAMPTAURKA
SCHEMBL352957 0.80 ROCK2 (0.43) ATG4BROCK2ROCK1NAMPTAURKA
SCHEMBL353153 0.80 ROCK2 (0.43) ATG4BROCK2ROCK1NAMPTAURKA
SCHEMBL352803 0.80 ROCK2 (0.44) ATG4BROCK2ROCK1NAMPTAURKA
SCHEMBL353291 0.80 ROCK2 (0.48) ATG4BROCK2ROCK1NAMPTAURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148380-B2 Antibacterial amide and sulfonamide substituted heterocyclic urea compounds CRESTONE, INC. (US) 2012-04-03 US claimed
US-20120015941-A1 Antibacterial Amide and Sulfonamide Substituted Heterocyclic Urea Compounds CRESTONE, INC. (US) 2012-01-19 US claimed
US-8148380-B2 Antibacterial amide and sulfonamide substituted heterocyclic urea compounds CRESTONE, INC. (US) 2012-04-03 US disclosed
US-20120015941-A1 Antibacterial Amide and Sulfonamide Substituted Heterocyclic Urea Compounds CRESTONE, INC. (US) 2012-01-19 US disclosed
EP-2200440-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS Crestone, Inc. (US) 2010-06-30 EP disclosed
WO-2009015208-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS REPLIDYNE, INC. (US) 2009-01-29 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-20120015941-A1 Antibacterial Amide and Sulfonamide Substituted Heterocyclic Urea Compounds NAAA, AADAC, RPSA ATG4B 761/4885ROCK2 4626/4885ROCK1 4747/4885

“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.