SCHEMBL352768

SCHEMBL352768

CN(Cc1csc(NC(=O)NCc2cccc(F)c2)n1)C(=O)c1cnn(C)c1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ATG4B Q9Y4P1 7/20 0.49
ROCK1 Q13464 11/20 0.47
ROCK2 O75116 10/20 0.47
NAMPT P43490 1/20 0.38
USP7 Q93009 1/20 0.37

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
SCHEMBL354243 0.89 ROCK2 (0.50) ATG4BROCK1ROCK2NAMPT
SCHEMBL353801 0.89 ROCK2 (0.50) ATG4BROCK1ROCK2NAMPT
SCHEMBL353555 0.88 ATG4B (0.49) ATG4BROCK1ROCK2NAMPT
SCHEMBL352722 0.88 ROCK2 (0.47) ATG4BROCK1ROCK2NAMPT
SCHEMBL351670 0.87 ROCK1 (0.48) ATG4BROCK1ROCK2NAMPT
SCHEMBL352919 0.84 ROCK2 (0.49) ATG4BROCK1ROCK2NAMPT
SCHEMBL353015 0.83 ROCK2 (0.52) ATG4BROCK1ROCK2NAMPT
SCHEMBL354626 0.83 ROCK2 (0.49) ATG4BROCK1ROCK2NAMPT
SCHEMBL352719 0.83 KDM4E (0.47) ATG4BROCK1ROCK2
SCHEMBL353239 0.82 ROCK2 (0.48) ATG4BROCK1ROCK2NAMPT

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
EP-2200440-B1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS CRESTONE INC (US) 2017-07-19 EP claimed
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
EP-2200440-B1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS CRESTONE INC (US) 2017-07-19 EP disclosed
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

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 761/4885ROCK1 4747/4885ROCK2 4626/4885

“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.