SCHEMBL2680431

SCHEMBL2680431

O=C(NCCCN1CCCC1=O)c1cc([N+](=O)[O-])c(Sc2ccc(Cl)cc2Cl)s1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ITGB2 P05107 7/20 0.65
▸ ICAM1 P05362 7/20 0.65
▸ ITGAL P20701 7/20 0.65
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ USP7 Q93009 4/20 0.54
▸ USP47 Q96K76 2/20 0.54
▸ KMT2A Q03164 3/20 0.51
▸ RAB9A P51151 2/20 0.49
▸ LMNA P02545 1/20 0.48
▸ RXFP1 Q9HBX9 1/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ USP2 O75604 1/20 0.43
▸ RECQL P46063 1/20 0.43

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 0.87 USP7 (0.57) ITGB2ICAM1ITGALUSP7USP47
SCHEMBL2680976 0.85 USP7 (0.60) L3MBTL1USP7USP47RAB9A
SCHEMBL5830335 0.78 ITGB2 (1.00) ITGB2ICAM1ITGALKMT2ALMNA
SCHEMBL5830329 0.78 ITGB2 (0.70) ITGB2ICAM1ITGALL3MBTL1KMT2A
SCHEMBL2679788 0.75 USP7 (0.74) USP7USP47
SCHEMBL5830523 0.73 ITGB2 (0.65) ITGB2ICAM1ITGALKMT2ARAB9A
SCHEMBL2680694 0.72 USP7 (0.80) USP7USP47LMNA
SCHEMBL5830529 0.72 ITGB2 (1.00) ITGB2ICAM1ITGALKMT2ALMNA
SCHEMBL2681153 0.72 USP7 (0.57) USP7USP47KMT2ARAB9ALMNA
SCHEMBL2680726 0.71 USP7 (1.00) ITGB2ICAM1ITGALUSP7USP47

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 ITGB2 3427/4885ICAM1 4205/4885ITGAL 3458/4885

“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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