SCHEMBL2680658

SCHEMBL2680658

O=C(O)c1cc([N+](=O)[O-])c(Oc2c(Cl)cncc2Cl)s1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ USP7 Q93009 16/20 0.47
▸ USP47 Q96K76 15/20 0.47
▸ USP10 Q14694 1/20 0.41
▸ CCNC P24863 1/20 0.38
▸ CDK8 P49336 1/20 0.38
▸ DAO P14920 1/20 0.37
▸ TPMT P51580 1/20 0.35

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
SCHEMBL2681289 0.90 USP10 (0.50) USP7USP47USP10CCNCCDK8
SCHEMBL2682369 0.85 USP7 (0.46) USP7USP47USP10DAO
SCHEMBL2680454 0.77 MAPT (0.55) USP7USP47USP10
SCHEMBL2681340 0.76 USP7 (0.70) USP7USP47CCNCCDK8
SCHEMBL2680693 0.75 USP7 (0.80) USP7USP47
SCHEMBL2681362 0.74 USP7 (0.57) USP7USP47
SCHEMBL1456043 0.72 DAO (0.55) USP7USP47DAO
SCHEMBL2680308 0.69 USP7 (0.77) USP7USP47
SCHEMBL2680671 0.68 HSPB1 (0.56) USP7USP47USP10
SCHEMBL2680991 0.68 TDP1 (0.63) USP7USP47USP10

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 315/4885USP10 363/4885

“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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