SCHEMBL2680694

SCHEMBL2680694

O=C(O)c1cc([N+](=O)[O-])c(Sc2ccc(Cl)cc2Cl)s1

nearest known ligand 0.80

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
USP7 Q93009 15/20 0.80
USP47 Q96K76 7/20 0.80
PADI4 Q9UM07 1/20 0.56
USP10 Q14694 1/20 0.50
IDO1 P14902 1/20 0.47
PDE7A Q13946 1/20 0.45
PDE7B Q9NP56 1/20 0.45
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL2680726 0.89 USP7 (1.00) USP7USP47PADI4USP10IDO1
SCHEMBL2681525 0.88 USP7 (0.77) USP7USP47PADI4USP10IDO1
SCHEMBL2680096 0.81 USP7 (0.80) USP7USP47PADI4USP10
SCHEMBL2680832 0.81 USP7 (0.67) USP7USP47PADI4USP10PDE7A
SCHEMBL2681330 0.81 USP7 (0.70) USP7USP47PADI4USP10LMNA
SCHEMBL2680950 0.81 USP7 (0.66) USP7USP47PADI4IDO1PDE7A
SCHEMBL2681219 0.80 USP7 (0.79) USP7USP47PADI4
SCHEMBL2680133 0.79 USP7 (0.63) USP7USP47PADI4IDO1PDE7A
SCHEMBL2679916 0.78 USP7 (1.00) USP7USP47PADI4USP10IDO1
SCHEMBL3717082 0.78 USP7 (0.76) USP7USP47PADI4IDO1PDE7A

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 3 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 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 USP7 437/4885USP47 315/4885PADI4 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.