SCHEMBL4157477

SCHEMBL4157477

CN(c1ccc(Nc2nc(Cl)nc(Nc3cc(S(=O)(=O)O)cc4cc(S(=O)(=O)O)c(/N=N/c5ccccc5S(=O)(=O)O)c(O)c34)n2)cc1)c1nc(Cl)nc(Nc2cc(S(=O)(=O)O)cc3cc(S(=O)(=O)O)c(/N=N/c4ccccc4S(=O)(=O)O)c(O)c23)n1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FUT8 Q9BYC5 1/20 0.83
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 1/20 0.42
MAPK1 P28482 1/20 0.42
DNASE1L3 Q13609 1/20 0.42
ENPP2 Q13822 6/20 0.42
PRMT1 Q99873 2/20 0.41
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HTT P42858 1/20 0.38
THRB P10828 1/20 0.38
CARM1 Q86X55 1/20 0.37
CHAT P28329 3/20 0.37
PHLPP2 Q6ZVD8 1/20 0.37
USP2 O75604 1/20 0.37
APEX1 P27695 1/20 0.37
CD40 P25942 1/20 0.35
CD40LG P29965 1/20 0.35
ENPP3 O14638 1/20 0.35
ENPP1 P22413 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
SCHEMBL3699009 1.00 FUT8 (0.83) FUT8CYP1A2CYP2C9MAPK1DNASE1L3
SCHEMBL13474936 0.94 FUT8 (0.74) FUT8CYP1A2CYP2C9MAPK1DNASE1L3
SCHEMBL31474592 0.91 FUT8 (1.00) FUT8CYP1A2CYP2C9MAPK1DNASE1L3
SCHEMBL13474896 0.91 FUT8 (1.00) FUT8CYP1A2CYP2C9MAPK1DNASE1L3
SCHEMBL14135301 0.89 FUT8 (0.92) FUT8CYP1A2CYP2C9MAPK1DNASE1L3
SCHEMBL14529440 0.89 FUT8 (0.95) FUT8CYP1A2CYP2C9MAPK1DNASE1L3
SCHEMBL30065554 0.89 FUT8 (0.95) FUT8CYP1A2CYP2C9MAPK1DNASE1L3
SCHEMBL8986193 0.87 FUT8 (0.64) FUT8CYP1A2CYP2C9MAPK1DNASE1L3
SCHEMBL8072638 0.86 FUT8 (0.90) FUT8CYP1A2CYP2C9MAPK1DNASE1L3
SCHEMBL8114946 0.86 FUT8 (0.90) FUT8CYP1A2CYP2C9MAPK1DNASE1L3

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-8367823-B2 Colorants based N-halamines compositions and method of making and using BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2013-02-05 US disclosed
US-20090074825-A1 COLORANTS BASED N-HALAMINES COMPOSITIONS AND METHOD OF MAKING AND USING BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2009-03-19 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-20090074825-A1 COLORANTS BASED N-HALAMINES COMPOSITIONS AND METHOD OF MAKING AND USING TYR, MPO, NISCH FUT8 651/4885CYP1A2 550/4885CYP2C9 771/4885

“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.