SCHEMBL2681880

SCHEMBL2681880

CC(=O)c1cc([N+](=O)[O-])c(Sc2ccc(-c3ccccc3)cc2)s1

nearest known ligand 0.85

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP47 Q96K76 8/20 0.85
USP7 Q93009 12/20 0.73
PADI4 Q9UM07 1/20 0.73
USP10 Q14694 1/20 0.56
MAPT P10636 3/20 0.47
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
KDM4E B2RXH2 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ABCB1 P08183 1/20 0.39
ABCC1 P33527 1/20 0.39
GAA P10253 1/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL2680315 0.86 USP7 (0.79) USP47USP7PADI4USP10MAPT
SCHEMBL2680932 0.85 USP47 (0.77) USP47USP7PADI4USP10MAPT
SCHEMBL2681089 0.85 USP7 (0.77) USP47USP7PADI4USP10MAPT
SCHEMBL2681075 0.85 USP7 (1.00) USP47USP7PADI4USP10MEN1
SCHEMBL27139432 0.82 USP7 (0.73) USP47USP7PADI4USP10MAPT
SCHEMBL29279218 0.82 USP47 (0.76) USP47USP7PADI4USP10MAPT
SCHEMBL2680830 0.81 USP7 (0.72) USP47USP7PADI4USP10MAPT
SCHEMBL2679936 0.80 USP7 (0.77) USP47USP7PADI4USP10MAPT
SCHEMBL2681213 0.79 USP7 (1.00) USP47USP7PADI4USP10
SCHEMBL2680382 0.78 USP7 (1.00) USP47USP7PADI4USP10

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-8680139-B2 Anti-neoplastic compounds, compositions and methods PROGENRA (US) 2014-03-25 US claimed
US-20120114765-A1 ANTI-NEOPLASTIC COMPOUNDS, COMPOSITIONS AND METHODS PROGENRA 2012-05-10 US claimed
WO-2010114881-A1 ANTI-NEOPLASTIC COMPOUNDS, COMPOSITIONS AND METHODS PROGENRA INC. (US) 2010-10-07 WO claimed
US-8680139-B2 Anti-neoplastic compounds, compositions and methods PROGENRA (US) 2014-03-25 US disclosed
US-20120114765-A1 ANTI-NEOPLASTIC COMPOUNDS, COMPOSITIONS AND METHODS PROGENRA 2012-05-10 US disclosed
WO-2010114881-A1 ANTI-NEOPLASTIC COMPOUNDS, COMPOSITIONS AND METHODS PROGENRA INC. (US) 2010-10-07 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-20120114765-A1 ANTI-NEOPLASTIC COMPOUNDS, COMPOSITIONS AND METHODS SERPINB1, TP53, CTSE USP47 315/4885USP7 437/4885PADI4 4342/4885

“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.