SCHEMBL390309

SCHEMBL390309

COc1ccc(-c2oc(=O)oc2COC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.48
ALDH1A1 P00352 5/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
MAPT P10636 3/20 0.43
POLB P06746 1/20 0.43
THRB P10828 1/20 0.43
APP P05067 1/20 0.43
GAA P10253 3/20 0.41
XDH P47989 1/20 0.40
HTT P42858 1/20 0.40
BCL9 O00512 1/20 0.40
CTNNB1 P35222 1/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GSK3B P49841 1/20 0.40
PDCD1 Q15116 1/20 0.40

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
SCHEMBL5987375 0.89 HTR2A (0.47) HTR2AALDH1A1KMT2AMAPTPOLB
SCHEMBL393557 0.82 HTR2A (0.54) HTR2AALDH1A1KMT2AMAPTPOLB
SCHEMBL2235790 0.79 HTR2A (0.51) HTR2AALDH1A1KMT2AMAPTPOLB
SCHEMBL6594172 0.78 HTR2A (0.74) HTR2AALDH1A1MEN1KMT2AMAPT
SCHEMBL15488962 0.78 KDM4E (0.44) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL5024953 0.74 GAA (0.60) HTR2AALDH1A1MEN1KMT2AMAPT
SCHEMBL7164084 0.73 HTR2A (0.64) HTR2AALDH1A1MEN1KMT2AMAPT
SCHEMBL30679539 0.72 HTR2A (0.62) HTR2AALDH1A1MEN1KMT2AMAPT
SCHEMBL4386673 0.71 MAPT (0.57) HTR2AALDH1A1MEN1KMT2AMAPT
SCHEMBL22230669 0.71 HTR2A (0.47) HTR2AALDH1A1MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101590-B2 9-aminocarbonylsubstituted derivatives of glycylcyclines WYETH LLC (US) 2012-01-24 US disclosed
US-8101590-B2 9-aminocarbonylsubstituted derivatives of glycylcyclines WYETH LLC (US) 2012-01-24 US disclosed
EP-1919879-A1 9-AMINOCARBONYLSUBSTITUTED DERIVATIVES OF GLYCYLCYCLINES Wyeth a Corporation of the State of Delaware (US) 2008-05-14 EP disclosed
WO-2007027599-A1 9-AMINOCARBONYLSUBSTITUTED DERIVATIVES OF GLYCYLCYCLINES WYETH (US) 2007-03-08 WO disclosed
US-20070049564-A1 9-Aminocarbonylsubstituted derivatives of glycylcyclines WYETH (US) 2007-03-01 US disclosed
US-20070049564-A1 9-Aminocarbonylsubstituted derivatives of glycylcyclines WYETH (US) 2007-03-01 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-20070049564-A1 9-Aminocarbonylsubstituted derivatives of glycylcyclines Q6ZSR9, GMPS, RPS10 HTR2A 3086/4885ALDH1A1 1826/4885MEN1 1471/4885

“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.