SCHEMBL16586563

SCHEMBL16586563

C#CCOCCCCOc1ccc(-c2nc3ccc(C=O)cc3[nH]2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLG P00747 4/20 0.50
▸ PLAU P00749 4/20 0.50
▸ CHEK2 O96017 4/20 0.48
▸ TOP1 P11387 1/20 0.48
▸ TOP2A P11388 1/20 0.48
▸ HDAC3 O15379 5/20 0.47
▸ HDAC4 P56524 5/20 0.47
▸ HDAC1 Q13547 5/20 0.47
▸ HDAC7 Q8WUI4 5/20 0.47
▸ HDAC2 Q92769 5/20 0.47
▸ HDAC10 Q969S8 5/20 0.47
▸ HDAC11 Q96DB2 5/20 0.47
▸ HDAC8 Q9BY41 5/20 0.47
▸ HDAC6 Q9UBN7 5/20 0.47
▸ HDAC9 Q9UKV0 5/20 0.47
▸ HDAC5 Q9UQL6 5/20 0.47
▸ ACHE P22303 5/20 0.46
▸ CYP1A1 P04798 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP1B1 Q16678 1/20 0.44

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
SCHEMBL1232791 0.91 PLG (0.51) PLGPLAUCHEK2TOP1TOP2A
SCHEMBL1233401 0.90 TOP1 (0.57) PLGPLAUCHEK2TOP1TOP2A
SCHEMBL16586719 0.90 PLG (0.52) PLGPLAUCHEK2TOP1TOP2A
SCHEMBL23424115 0.80 CHEK2 (0.64) PLGPLAUCHEK2HDAC6ACHE
SCHEMBL16586792 0.78 CHEK2 (0.57) PLGPLAUCHEK2HDAC6ACHE
SCHEMBL16585081 0.78 ALDH1A1 (0.51) HDAC3HDAC2HDAC8
SCHEMBL20982796 0.78 MEN1 (0.57) HDAC6
SCHEMBL16586786 0.77 TOP1 (0.83) TOP1TOP2AACHE
SCHEMBL20982466 0.74 CHEK2 (0.65) PLGPLAUCHEK2HDAC6ACHE
SCHEMBL23424051 0.74 CHEK2 (0.48) PLGPLAUCHEK2HDAC3HDAC4

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 PLG 4101/4885PLAU 4142/4885CHEK2 259/4885

“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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