SCHEMBL2681153

SCHEMBL2681153

O=C(NCCCN1CCCCC1)c1cc([N+](=O)[O-])c(Sc2ccc(F)cc2F)s1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ USP7 Q93009 3/20 0.57
▸ USP47 Q96K76 2/20 0.57
▸ USP10 Q14694 1/20 0.57
▸ MAPT P10636 6/20 0.44
▸ LMNA P02545 4/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ ULK1 O75385 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ NAMPT P43490 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ RAD52 P43351 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ MEN1 O00255 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
SCHEMBL2681866 0.84 USP7 (0.57) USP7USP47MAPTLMNASMN1; SMN2
SCHEMBL2680749 0.78 USP7 (0.63) USP7USP47
SCHEMBL2680653 0.77 USP7 (0.64) USP7USP47
SCHEMBL2681306 0.75 USP7 (0.77) USP7USP47USP10MAPTLMNA
SCHEMBL2680882 0.75 USP7 (0.80) USP7USP47USP10
SCHEMBL29493045 0.74 USP7 (1.00) USP7USP47USP10MAPT
SCHEMBL2680945 0.74 USP7 (1.00) USP7USP47USP10MAPT
SCHEMBL2680360 0.73 USP7 (0.65) USP7USP47
SCHEMBL2680431 0.72 ITGB2 (0.65) USP7USP47LMNARAB9AKMT2A
SCHEMBL2680855 0.71 USP7 (0.65) 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 5 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
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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