SCHEMBL5994115

SCHEMBL5994115

O=C1NC(=S)NC(=O)C1=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 6/20 1.00
GSK3A P49840 4/20 0.80
GSK3B P49841 4/20 0.80
BRAF P15056 4/20 0.67
AURKA O14965 1/20 0.63
AURKB Q96GD4 1/20 0.63
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
INSR P06213 1/20 0.61
IGF1R P08069 1/20 0.61
SIRT1 Q96EB6 1/20 0.61
SIRT5 Q9NXA8 1/20 0.61
POLB P06746 1/20 0.61
GAA P10253 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
MITF O75030 1/20 0.59

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
SCHEMBL13587001 0.89 SIRT2 (0.80) SIRT2GSK3AGSK3BBRAFAURKA
SCHEMBL1064843 0.89 GSK3A (0.81) SIRT2GSK3AGSK3BBRAFAURKA
SCHEMBL15506584 0.89 GSK3A (1.00) SIRT2GSK3AGSK3BBRAFMEN1
SCHEMBL5145235 0.86 AURKA (0.78) SIRT2GSK3AGSK3BBRAFAURKA
SCHEMBL31061383 0.86 SIRT2 (0.75) SIRT2GSK3AGSK3BBRAFAURKA
SCHEMBL13056375 0.86 SIRT2 (0.75) SIRT2GSK3AGSK3BBRAFAURKA
SCHEMBL13056364 0.85 SIRT2 (1.00) SIRT2GSK3AGSK3BBRAFAURKA
SCHEMBL15502298 0.84 SIRT2 (0.73) SIRT2GSK3AGSK3BBRAFAURKA
SCHEMBL5991954 0.81 SIRT2 (0.69) SIRT2GSK3AGSK3BBRAFAURKA
SCHEMBL5997094 0.80 BRAF (1.00) SIRT2GSK3AGSK3BBRAFAURKA

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012065139-A2 ENTPD5 INHIBITORS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-05-18 WO disclosed
US-20100298390-A1 INHIBITION OF LETHAL FACTOR PROTEASE ACTIVITY FROM ANTHRAX TOXIN BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-11-25 US disclosed
US-20100298390-A1 INHIBITION OF LETHAL FACTOR PROTEASE ACTIVITY FROM ANTHRAX TOXIN BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-11-25 US disclosed
US-7718680-B2 Inhibition of lethal factor protease activity from anthrax toxin BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-05-18 US disclosed
US-7718680-B2 Inhibition of lethal factor protease activity from anthrax toxin BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-05-18 US disclosed
US-20080033025-A1 Inhibition of lethal factor protease activity from anthrax toxin NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2008-02-07 US disclosed
US-20080033025-A1 Inhibition of lethal factor protease activity from anthrax toxin NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2008-02-07 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 (2 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-20100298390-A1 INHIBITION OF LETHAL FACTOR PROTEASE ACTIVITY FROM ANTHRAX TOXIN APAF1, ANTXR2, SERPINB1 SIRT2 2103/4885GSK3A 3193/4885GSK3B 3202/4885
US-20080033025-A1 Inhibition of lethal factor protease activity from anthrax toxin APAF1, ANTXR2, SERPINB1 SIRT2 2103/4885GSK3A 3193/4885GSK3B 3202/4885

“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.