SCHEMBL2681824

SCHEMBL2681824

CC(O)c1cc([N+](=O)[O-])c(Sc2cccc(Cl)c2Cl)s1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ USP7 Q93009 15/20 0.70
▸ USP47 Q96K76 7/20 0.67
▸ ITGB2 P05107 1/20 0.41
▸ ICAM1 P05362 1/20 0.41
▸ ITGAL P20701 1/20 0.41
▸ PADI4 Q9UM07 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.38
▸ USP10 Q14694 1/20 0.38
▸ PDE7A Q13946 1/20 0.36

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
SCHEMBL2679916 0.82 USP7 (1.00) USP7USP47ITGB2ICAM1ITGAL
SCHEMBL2681288 0.80 USP7 (1.00) USP7USP47ITGB2ICAM1ITGAL
SCHEMBL30031458 0.80 USP7 (1.00) USP7USP47ITGB2ICAM1ITGAL
SCHEMBL2680096 0.79 USP7 (0.80) USP7USP47ITGB2ICAM1ITGAL
SCHEMBL2681421 0.77 USP7 (0.78) USP7USP47PADI4USP10
SCHEMBL3717383 0.77 USP7 (1.00) USP7USP47ITGB2ICAM1ITGAL
SCHEMBL2681208 0.75 USP7 (0.73) USP7USP47PADI4KDM4EMAPT
SCHEMBL3715754 0.74 USP7 (0.72) USP7USP47ITGB2ICAM1ITGAL
SCHEMBL27152086 0.73 USP7 (0.55) USP7USP47ITGB2ICAM1ITGAL
SCHEMBL2679939 0.71 USP7 (0.79) USP7USP47PADI4PDE7A

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 USP7 437/4885USP47 315/4885ITGB2 3427/4885

“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.

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