SCHEMBL2682369

SCHEMBL2682369

O=C(O)c1cc([N+](=O)[O-])c(Oc2c(Cl)cccc2Cl)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP7 Q93009 4/20 0.46
▸ USP47 Q96K76 3/20 0.46
▸ MAPT P10636 3/20 0.46
▸ POLB P06746 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ USP10 Q14694 1/20 0.42
▸ GAA P10253 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HPGD P15428 1/20 0.39
▸ VCAM1 P19320 1/20 0.39
▸ CAMK2A Q9UQM7 1/20 0.39
▸ DAO P14920 1/20 0.38
▸ BCL2L1 Q07817 1/20 0.38
▸ MCL1 Q07820 1/20 0.38
▸ PTPN7 P35236 1/20 0.37
▸ PTPN12 Q05209 1/20 0.37
▸ PTPN22 Q9Y2R2 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37

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
SCHEMBL2680454 0.88 MAPT (0.55) USP7USP47MAPTPOLBALDH1A1
SCHEMBL2680658 0.85 USP7 (0.47) USP7USP47USP10DAO
SCHEMBL2681289 0.75 USP10 (0.50) USP7USP47MAPTPOLBALDH1A1
SCHEMBL2679902 0.75 USP7 (0.69) USP7USP47MAPTALDH1A1SMN1; SMN2
SCHEMBL2681219 0.75 USP7 (0.79) USP7USP47
SCHEMBL1456043 0.73 DAO (0.55) USP7USP47VCAM1DAOLMNA
SCHEMBL2680671 0.72 HSPB1 (0.56) USP7USP47USP10KMT2A
SCHEMBL2680096 0.72 USP7 (0.80) USP7USP47USP10
SCHEMBL21436430 0.70 USP10 (0.65) USP47MAPTPOLBALDH1A1USP10
SCHEMBL2680991 0.69 TDP1 (0.63) USP7USP47POLBALDH1A1USP10

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 315/4885MAPT 3344/4885

“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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