SCHEMBL1233401

SCHEMBL1233401

C#CCOc1ccc(-c2nc3ccc(C=O)cc3[nH]2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 1/20 0.57
▸ TOP2A P11388 1/20 0.57
▸ CYP1A1 P04798 1/20 0.54
▸ CYP1A2 P05177 1/20 0.54
▸ CYP1B1 Q16678 1/20 0.54
▸ PARP1 P09874 1/20 0.49
▸ CHEK2 O96017 5/20 0.47
▸ PLG P00747 4/20 0.45
▸ PLAU P00749 4/20 0.45
▸ ACHE P22303 4/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ USP2 O75604 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ NFKB1 P19838 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
SCHEMBL16586563 0.90 PLG (0.50) TOP1TOP2ACYP1A1CYP1A2CYP1B1
SCHEMBL1232791 0.87 PLG (0.51) TOP1TOP2ACHEK2PLGPLAU
SCHEMBL16586719 0.86 PLG (0.52) TOP1TOP2ACHEK2PLGPLAU
SCHEMBL23424115 0.84 CHEK2 (0.64) CHEK2PLGPLAUACHEKDM4E
SCHEMBL20982796 0.82 MEN1 (0.57) KDM4ENPC1USP2ALDH1A1TP53
SCHEMBL10061954 0.79 CYP1A1 (0.69) TOP1TOP2ACYP1A1CYP1A2CYP1B1
SCHEMBL2562072 0.76 NPBWR1 (0.59) TOP1TOP2ACHEK2KDM4ENPC1
SCHEMBL4396538 0.76 NPC1 (0.60) CYP1A2CHEK2PLAUKDM4ENPC1
SCHEMBL10737800 0.75 CYP1A1 (0.57) TOP1TOP2ACYP1A1CYP1A2CYP1B1
SCHEMBL12888578 0.75 CHEK2 (0.55) TOP1TOP2APARP1CHEK2PLG

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 11 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-9492554-B2 Methods and compositions related to viral inhibition CLEMSON UNIVERSITY (US) 2016-11-15 — — US disclosed
US-9492554-B2 Methods and compositions related to viral inhibition CLEMSON UNIVERSITY (US) 2016-11-15 — — US disclosed
US-20160263231-A1 Methods and Compositions Related to Viral Inhibition CLEMSON UNIVERSITY 2016-09-15 — — US disclosed
US-20160263231-A1 Methods and Compositions Related to Viral Inhibition CLEMSON UNIVERSITY 2016-09-15 — — US disclosed
US-20160229810-A1 Selective Inhibition of Bacterial Topoisomerase I THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES (US) 2016-08-11 — — US disclosed
US-9072761-B2 Methods and compositions related to viral inhibition CLEMSON UNIVERSITY RESEARCH FOUNDATION (CURF) (US) 2015-07-07 — — US disclosed
US-9072761-B2 Methods and compositions related to viral inhibition CLEMSON UNIVERSITY RESEARCH FOUNDATION (CURF) (US) 2015-07-07 — — 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
US-20110046982-A1 METHODS AND COMPOSITIONS RELATED TO VIRAL INHIBITION CLEMSON UNIVERSITY RESEARCH FOUNDATION (CURF) (US) 2011-02-24 — — US disclosed
US-20110046982-A1 METHODS AND COMPOSITIONS RELATED TO VIRAL INHIBITION CLEMSON UNIVERSITY RESEARCH FOUNDATION (CURF) (US) 2011-02-24 — — US 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 (3 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 TOP1 1/4885TOP2A 3/4885CYP1A1 1995/4885
US-20160263231-A1 Methods and Compositions Related to Viral Inhibition EIF2AK2, NSUN2, NSUN3 TOP1 612/4885TOP2A 716/4885CYP1A1 4203/4885
US-20110046982-A1 METHODS AND COMPOSITIONS RELATED TO VIRAL INHIBITION EIF2AK2, NSUN2, NSUN3 TOP1 612/4885TOP2A 716/4885CYP1A1 4203/4885

“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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