SCHEMBL353803

SCHEMBL353803

CC(C(N)=O)c1nn[nH]n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAALAD2 Q9Y3Q0 1/20 0.39
CYP1A2 P05177 1/20 0.35
KDM6B O15054 1/20 0.34
KDM4A O75164 1/20 0.34
KDM5A P29375 1/20 0.34
DDAH1 O94760 1/20 0.34
GRN P28799 1/20 0.34
SORT1 Q99523 1/20 0.34
GRM1 Q13255 1/20 0.33
XDH P47989 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
ALOX15 P16050 1/20 0.31
HIF1A Q16665 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL31326721 0.82 NAALAD2 (0.44) NAALAD2CYP1A2GRNSORT1GRM1
SCHEMBL23646039 0.72 NAALAD2 (0.40) NAALAD2CYP1A2KDM6BKDM4AKDM5A
SCHEMBL14551689 0.72
SCHEMBL4685059 0.72
SCHEMBL2168915 0.71 NAALAD2 (0.36) NAALAD2CYP1A2KDM6BKDM4AKDM5A
SCHEMBL13319916 0.69 NAALAD2 (0.44) NAALAD2CYP1A2KDM6BKDM4AKDM5A
SCHEMBL23796262 0.69 NAALAD2 (0.47) NAALAD2CYP1A2GRNSORT1CA12
SCHEMBL19836248 0.69
SCHEMBL22746730 0.67 NAALAD2 (0.45) NAALAD2CYP1A2KDM6BKDM4AKDM5A
SCHEMBL20652615 0.67 NAALAD2 (0.39) NAALAD2CYP1A2KDM6BKDM4AKDM5A

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 2 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 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 NAALAD2 132/4885CYP1A2 2181/4885KDM6B 2144/4885

“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.