SCHEMBL2573379

SCHEMBL2573379

COC(=O)c1cc(NCc2ccccc2)c([N+](=O)[O-])c(NCc2ccccc2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.51
LMNA P02545 3/20 0.50
HPGD P15428 2/20 0.50
HTT P42858 3/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
CRHBP P24387 2/20 0.49
CRHR2 Q13324 2/20 0.49
ALDH1A1 P00352 2/20 0.49
MEN1 O00255 2/20 0.49
GAA P10253 2/20 0.49
KMT2A Q03164 2/20 0.49
NPSR1 Q6W5P4 3/20 0.48
MAPK1 P28482 3/20 0.48
BLM P54132 2/20 0.48
RECQL P46063 1/20 0.48
EGFR P00533 1/20 0.48
TDP1 Q9NUW8 1/20 0.46
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL2573499 0.88 MAPT (0.53) MAPTLMNAHPGDHTTL3MBTL1
SCHEMBL13407309 0.82 MAPT (0.59) MAPTLMNAHPGDHTTL3MBTL1
SCHEMBL2572361 0.79 MAPT (0.55) MAPTLMNAHPGDHTTL3MBTL1
SCHEMBL2572273 0.79 MAPT (0.50) MAPTLMNAHPGDHTTL3MBTL1
SCHEMBL12164325 0.78 MAPT (0.57) MAPTLMNAHPGDHTTL3MBTL1
SCHEMBL2567876 0.77 MAPT (0.53) MAPTLMNAHPGDHTTL3MBTL1
SCHEMBL2571273 0.76 MAPT (0.58) MAPTLMNAHPGDHTTL3MBTL1
SCHEMBL2574486 0.75 MAPT (0.54) MAPTLMNAHPGDHTTL3MBTL1
SCHEMBL13407314 0.75 MAPT (0.60) MAPTLMNAHPGDHTTL3MBTL1
SCHEMBL2564785 0.75 MAPT (0.54) MAPTLMNAHPGDHTTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1987030-B1 3 -DEAZAPURINE DERIVATIVES AS TLR7 MODULATORS PFIZER LTD (GB) 2011-11-09 EP disclosed
EP-1987030-B1 3 -DEAZAPURINE DERIVATIVES AS TLR7 MODULATORS PFIZER LTD (GB) 2011-11-09 EP disclosed
US-7691877-B2 Pharmaceuticals PFIZER INC. (US) 2010-04-06 US disclosed
US-7691877-B2 Pharmaceuticals PFIZER INC. (US) 2010-04-06 US disclosed
US-7691877-B2 Pharmaceuticals PFIZER INC. (US) 2010-04-06 US disclosed
EP-1987030-A1 3 -DEAZAPURINE DERIVATIVES AS TLR7 MODULATORS Pfizer Limited (GB) 2008-11-05 EP disclosed
WO-2007093901-A1 3 -DEAZAPURINE DERIVATIVES AS TLR7 MODULATORS PFIZER LIMITED (GB) 2007-08-23 WO disclosed
WO-2007093901-A1 3 -DEAZAPURINE DERIVATIVES AS TLR7 MODULATORS PFIZER LIMITED (GB) 2007-08-23 WO disclosed
US-20070197478-A1 NOVEL PHARMACEUTICALS PFIZER LIMITED 2007-08-23 US disclosed
US-20070197478-A1 NOVEL PHARMACEUTICALS PFIZER LIMITED 2007-08-23 US disclosed
US-20070197478-A1 NOVEL PHARMACEUTICALS PFIZER LIMITED 2007-08-23 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-20070197478-A1 NOVEL PHARMACEUTICALS TLR3, HAVCR2, TLR9 MAPT 4363/4885LMNA 4120/4885HPGD 732/4885

“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.