SCHEMBL2272303

SCHEMBL2272303

COc1ccc(CN2C(=O)CC3CCC(Nc4c([N+](=O)[O-])cnc5c4ccn5S(=O)(=O)c4ccccc4)CC32)c(OC)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
TP53 P04637 2/20 0.33
PDE9A O76083 2/20 0.32
F2 P00734 1/20 0.32
HTR6 P50406 4/20 0.32
EGLN1 Q9GZT9 1/20 0.32
BCHE P06276 1/20 0.31
ACHE P22303 1/20 0.31
LMNA P02545 1/20 0.31
CYP3A4 P08684 1/20 0.31
DRD2 P14416 1/20 0.31
SLC6A2 P23975 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR7 P34969 1/20 0.31
HRH1 P35367 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
SCHEMBL2275157 0.90 ALDH1A1 (0.39) KDM4EALDH1A1POLBKMT2AMEN1
SCHEMBL2272155 0.86 KDM4E (0.39) KDM4EALDH1A1POLBTP53PDE9A
SCHEMBL2276884 0.78 POLB (0.40) KDM4EALDH1A1POLBKMT2AMEN1
SCHEMBL2225853 0.77 ALDH1A1 (0.39) KDM4EALDH1A1POLBKMT2AMEN1
SCHEMBL2282644 0.76 KDM4E (0.41) KDM4EALDH1A1POLBTP53HTR6
SCHEMBL28952121 0.75 ALDH1A1 (0.36) ALDH1A1POLBKMT2AMEN1HTR6
SCHEMBL28952116 0.75 ALDH1A1 (0.36) ALDH1A1POLBKMT2AMEN1HTR6
SCHEMBL14644135 0.75 MEN1 (0.35) KMT2AMEN1HTR6BCHEADORA1
SCHEMBL14644519 0.75 MEN1 (0.35) KMT2AMEN1HTR6BCHEADORA1
SCHEMBL2275841 0.74 HTR6 (0.37) HTR6BCHECYP3A4DRD2SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461328-B2 Tricyclic heterocyclic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2013-06-11 US disclosed
EP-2523957-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F. Hoffmann-La Roche AG (CH) 2012-11-21 EP disclosed
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2011-08-18 US disclosed
WO-2011086053-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2011-07-21 WO 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-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF CCNY, CCNA1, CCNA2 KDM4E 2333/4885ALDH1A1 1168/4885POLB 660/4885

“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.