SCHEMBL353121

SCHEMBL353121

CN(Cc1nsc(NC(=O)NCc2ccc(Cl)s2)n1)C(=O)c1cnn(C)c1[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATG4B Q9Y4P1 12/20 0.36
CDK2 P24941 2/20 0.32
GSK3A P49840 2/20 0.32
GSK3B P49841 2/20 0.32
DYRK1A Q13627 1/20 0.32
HIPK4 Q8NE63 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
ALDH1A1 P00352 5/20 0.32
HTT P42858 3/20 0.32
KMT2A Q03164 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
RAB9A P51151 2/20 0.32
LMNA P02545 2/20 0.32
MEN1 O00255 2/20 0.32
NPC1 O15118 1/20 0.32
XBP1 P17861 1/20 0.32
PAX8 Q06710 1/20 0.32
MCL1 Q07820 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
RPS6KB1 P23443 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
SCHEMBL19119232 0.90 ATG4B (0.33) ATG4BCDK2GSK3AGSK3BDYRK1A
SCHEMBL353762 0.87 NPC1 (0.37) ATG4BCDK2GSK3AGSK3BDYRK1A
SCHEMBL352627 0.87 ALDH1A1 (0.32) ALDH1A1HTTKMT2ASMN1; SMN2RAB9A
SCHEMBL353555 0.82 ATG4B (0.49) ATG4BCDK2GSK3AGSK3BDYRK1A
SCHEMBL352427 0.80 SMN1; SMN2 (0.35) ALDH1A1HTTKMT2ASMN1; SMN2RAB9A
SCHEMBL354377 0.80 ALDH1A1 (0.32) ALDH1A1HTTKMT2ASMN1; SMN2RAB9A
SCHEMBL19119508 0.79 KMT2A (0.30) KMT2A
SCHEMBL353752 0.78 LMNA (0.39) ALDH1A1HTTKMT2ASMN1; SMN2RAB9A
SCHEMBL354448 0.77 KMT2A (0.33) ALDH1A1HTTKMT2ASMN1; SMN2RAB9A
SCHEMBL353858 0.77 HTT (0.42) ALDH1A1HTTKMT2ASMN1; SMN2RAB9A

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 4 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

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 761/4885CDK2 575/4885GSK3A 4509/4885

“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.