SCHEMBL16586762

SCHEMBL16586762

C#CCCCCCCCCCOc1ccc(-c2nc3ccc(C(=O)N(C)OC)cc3[nH]2)cc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CHEK2 O96017 10/20 0.58
▸ PLG P00747 4/20 0.55
▸ PLAU P00749 4/20 0.55
▸ HDAC6 Q9UBN7 4/20 0.51
▸ HDAC3 O15379 3/20 0.47
▸ HDAC4 P56524 3/20 0.47
▸ HDAC1 Q13547 3/20 0.47
▸ HDAC7 Q8WUI4 3/20 0.47
▸ HDAC2 Q92769 3/20 0.47
▸ HDAC10 Q969S8 3/20 0.47
▸ HDAC11 Q96DB2 3/20 0.47
▸ HDAC8 Q9BY41 3/20 0.47
▸ HDAC9 Q9UKV0 3/20 0.47
▸ HDAC5 Q9UQL6 3/20 0.47
▸ ACHE P22303 2/20 0.47

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
SCHEMBL1233400 0.99 CHEK2 (0.58) CHEK2PLGPLAUHDAC6HDAC3
SCHEMBL16586792 0.90 CHEK2 (0.57) CHEK2PLGPLAUHDAC6ACHE
SCHEMBL12888578 0.88 CHEK2 (0.55) CHEK2PLGPLAUHDAC6
SCHEMBL20982733 0.82 CHEK2 (0.58) CHEK2HDAC6
SCHEMBL23449071 0.79 CHEK2 (0.54) CHEK2PLGPLAUHDAC6
SCHEMBL12903464 0.78 CHEK2 (0.57) CHEK2HDAC6
SCHEMBL16586719 0.77 PLG (0.52) CHEK2PLGPLAUHDAC6HDAC3
SCHEMBL1232791 0.76 PLG (0.51) CHEK2PLGPLAUHDAC6HDAC3
SCHEMBL7334131 0.76 PLG (0.66) CHEK2PLGPLAUHDAC6
SCHEMBL7333360 0.75 PLG (0.62) CHEK2PLGPLAUHDAC6HDAC3

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-9920014-B2 Selective inhibition of bacterial topoisomerase I THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES (US) 2018-03-20 — — US disclosed
US-20160229810-A1 Selective Inhibition of Bacterial Topoisomerase I THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES (US) 2016-08-11 — — US disclosed
WO-2015042438-A1 SELECTIVE INHIBITION OF BACTERIAL TOPOISOMERASE I THE FLORIDA INTERNATIONAL BOARD OF TRUSTEES MODESTO A. MAIDIQUE CAMPUS (US) 2015-03-26 — — 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-20160229810-A1 Selective Inhibition of Bacterial Topoisomerase I TOP1, TOP2B, TOP2A CHEK2 259/4885PLG 4101/4885PLAU 4142/4885

“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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