SCHEMBL2681340

SCHEMBL2681340

CN1CCC(NC(=O)c2cc([N+](=O)[O-])c(Oc3c(Cl)cncc3Cl)s2)CC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP7 Q93009 12/20 0.70
▸ USP47 Q96K76 12/20 0.70
▸ LMNA P02545 1/20 0.41
▸ HSP90AA1 P07900 2/20 0.41
▸ HSP90AB1 P08238 1/20 0.41
▸ DCLK1 O15075 1/20 0.40
▸ PDPK1 O15530 1/20 0.40
▸ PRKD3 O94806 1/20 0.40
▸ MAP4K4 O95819 1/20 0.40
▸ CHEK2 O96017 1/20 0.40
▸ PIM1 P11309 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ AXL P30530 1/20 0.40
▸ FLT4 P35916 1/20 0.40
▸ FLT3 P36888 1/20 0.40
▸ MAPK9 P45984 1/20 0.40
▸ CSNK1D P48730 1/20 0.40
▸ IRAK1 P51617 1/20 0.40
▸ RPS6KA3 P51812 1/20 0.40
▸ PRKX P51817 1/20 0.40

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
SCHEMBL2681362 0.90 USP7 (0.57) USP7USP47HSP90AA1HSP90AB1
SCHEMBL2679902 0.90 USP7 (0.69) USP7USP47LMNAHSP90AA1HSP90AB1
SCHEMBL2680788 0.82 USP7 (1.00) USP7USP47
SCHEMBL2681289 0.78 USP10 (0.50) USP7USP47MAPK1CCNCCDK8
SCHEMBL2681865 0.77 USP7 (0.90) USP7USP47
SCHEMBL2680658 0.76 USP7 (0.47) USP7USP47CCNCCDK8
SCHEMBL2681385 0.75 USP7 (0.80) USP7USP47
SCHEMBL2681215 0.74 USP7 (0.80) USP7USP47
SCHEMBL2679631 0.74 USP7 (0.81) USP7USP47
SCHEMBL2680453 0.74 USP7 (0.82) USP7USP47

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 315/4885LMNA 1766/4885

“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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