SCHEMBL4743797

SCHEMBL4743797

O=[N+]([O-])c1ccc(OCC(COc2ccc([N+](=O)[O-])cc2)(COc2ccc([N+](=O)[O-])cc2)COc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.53
PTGS2 P35354 1/20 0.53
CA1 P00915 3/20 0.49
CA2 P00918 3/20 0.49
CA9 Q16790 2/20 0.49
CA12 O43570 1/20 0.49
CA7 P43166 1/20 0.49
DRD2 P14416 1/20 0.49
DRD4 P21917 1/20 0.49
DRD3 P35462 1/20 0.49
KCNH2 Q12809 1/20 0.49
HSPB1 P04792 1/20 0.48
MAPT P10636 3/20 0.47
MAOB P27338 2/20 0.47
ALDH1A1 P00352 2/20 0.47
AOC3 Q16853 1/20 0.47
POLB P06746 1/20 0.47
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47

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
SCHEMBL10452634 0.89 PTGS2 (0.55) LMNAPTGS2CA1CA2KCNH2
SCHEMBL2565063 0.85 PTGS2 (0.54) LMNAPTGS2CA1CA2CA9
SCHEMBL745595 0.85 HSPB1 (0.50) LMNAPTGS2CA1CA2CA9
SCHEMBL9066838 0.85 PTGS2 (0.54) LMNAPTGS2CA1CA2CA9
SCHEMBL17562364 0.82 PTGS2 (0.51) LMNAPTGS2CA1CA2CA9
SCHEMBL2961207 0.82 PTGS2 (0.51) LMNAPTGS2CA1CA2CA9
SCHEMBL2561971 0.82 LMNA (0.47) LMNAPTGS2CA1CA2CA9
SCHEMBL13962353 0.82 PTGS2 (0.51) LMNAPTGS2CA1CA2MAPT
SCHEMBL8746688 0.81 LMNA (0.58) LMNAPTGS2CA1CA2CA9
SCHEMBL6228523 0.81 MAPT (0.65) LMNAPTGS2DRD2DRD4DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008090555-A2 MEDICAL DEVICES HAVING A MATRIX ADHERED THEREOF ELUTEX LTD. (IL) 2008-07-31 WO disclosed
WO-2008090554-A2 MODIFIED CONDUCTIVE SURFACES PREPARED BY ELECTROGRAFTING OF DIAZONIUM SALTS ELUTEX LTD. (IL) 2008-07-31 WO disclosed
US-7157601-B2 Alkylated urea and triaminotriazine compounds and phase change inks containing same XEROX CORPORATION (US) 2007-01-02 US disclosed
US-20060178531-A1 Alkylated urea and triaminotriazine compounds and phase change inks containing same XEROX CORPORATION 2006-08-10 US disclosed
US-7087752-B2 Alkylated urea and triaminotriazine compounds and phase change inks containing same XEROX CORPORATION (US) 2006-08-08 US disclosed
US-6860928-B2 Alkylated urea and triaminotriazine compounds and phase change inks containing same XEROX CORPORATION (US) 2005-03-01 US disclosed
US-20040249210-A1 Alkylated urea and triaminotriazine compounds and phase change inks containing same XEROX CORPORATION 2004-12-09 US disclosed
US-20040075723-A1 Alkylated urea and triaminotriazine compounds and phase change inks containing same XEROX CORPORATION 2004-04-22 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 (3 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-20060178531-A1 Alkylated urea and triaminotriazine compounds and phase change inks containing same NR1H3, SIGMAR1, NCOR1 LMNA 3943/4885PTGS2 3954/4885CA1 2655/4885
US-20040249210-A1 Alkylated urea and triaminotriazine compounds and phase change inks containing same NR4A1, NR0B1, RCOR1 LMNA 2960/4885PTGS2 3855/4885CA1 2931/4885
US-20040075723-A1 Alkylated urea and triaminotriazine compounds and phase change inks containing same NR4A1, NR1I3, CCNY LMNA 1041/4885PTGS2 4181/4885CA1 2376/4885

“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.