SCHEMBL2680133

SCHEMBL2680133

O=Cc1cc([N+](=O)[O-])c(Sc2ccc(Cl)cc2Cl)s1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP7 Q93009 8/20 0.63
USP47 Q96K76 2/20 0.63
IDO1 P14902 1/20 0.48
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
PDE7A Q13946 7/20 0.43
PDE7B Q9NP56 4/20 0.43
PADI4 Q9UM07 1/20 0.43
ITGB2 P05107 1/20 0.42
ICAM1 P05362 1/20 0.42
ITGAL P20701 1/20 0.42
PDE4B Q07343 1/20 0.41
PDE4D Q08499 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
POLB P06746 1/20 0.41
HSP90AA1 P07900 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL2680950 0.82 USP7 (0.66) USP7USP47IDO1TSHRMAPK1
SCHEMBL3717157 0.81 USP7 (0.69) USP7USP47IDO1TSHRMAPK1
SCHEMBL2680694 0.79 USP7 (0.80) USP7USP47IDO1TSHRMAPK1
SCHEMBL2680101 0.78 USP7 (0.64) USP7USP47IDO1TSHRMAPK1
SCHEMBL2680726 0.78 USP7 (1.00) USP7USP47IDO1TSHRMAPK1
SCHEMBL3716355 0.77 USP7 (0.79) USP7USP47IDO1TSHRMAPK1
SCHEMBL3717082 0.77 USP7 (0.76) USP7USP47IDO1TSHRMAPK1
SCHEMBL2679939 0.77 USP7 (0.79) USP7USP47IDO1TSHRMAPK1
SCHEMBL3722833 0.77 USP7 (0.76) USP7USP47IDO1TSHRMAPK1
SCHEMBL2679916 0.77 USP7 (1.00) USP7USP47IDO1TSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 USP7 437/4885USP47 315/4885IDO1 3881/4885

“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.