SCHEMBL4981749

SCHEMBL4981749

C=CC[n+]1ccccc1I

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
HDAC8 Q9BY41 2/20 0.40
ACHE P22303 2/20 0.33
BCHE P06276 1/20 0.33
NPC1 O15118 1/20 0.31
POLB P06746 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL3087633 0.78 KDM4E (0.44) KDM4EHDAC8ACHEBCHENPC1
SCHEMBL11004432 0.77 KDM4E (0.43) KDM4EHDAC8ACHEBCHENPC1
SCHEMBL2778719 0.75 KDM4E (0.42) KDM4EHDAC8ACHEBCHENPC1
SCHEMBL11286540 0.75 KDM4E (0.42) KDM4EHDAC8ACHEBCHENPC1
SCHEMBL721593 0.75 HDAC8 (0.50) KDM4EHDAC8ACHEBCHENPC1
SCHEMBL11004427 0.75 KDM4E (0.46) KDM4EHDAC8ACHEBCHENPC1
SCHEMBL1055898 0.75 SMN1; SMN2 (0.52) KDM4EHDAC8ACHEBCHENPC1
SCHEMBL950597 0.75 KDM4E (0.42) KDM4EHDAC8ACHEBCHENPC1
Hydrochloric Acid SCHEMBL1533049 0.73 HDAC8 (0.48) KDM4EHDAC8ACHEBCHENPC1
Iodide SCHEMBL4396612 0.73 HDAC8 (0.48) KDM4EHDAC8ACHEBCHENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8352193-B2 Methods for deriving a cumulative ranking TARGET DISCOVERY, INC. (US) 2013-01-08 US disclosed
EP-2479578-A1 Mass defect labeling for the determination of oligomer sequences Target Discovery, Inc. (US) 2012-07-25 EP disclosed
EP-1824516-A4 GLYCAN ANALYSIS USING DEUTERATED GLUCOSE TARGET DISCOVERY INC (US) 2008-11-05 EP disclosed
US-7316931-B2 Mass defect labeling for the determination of oligomer sequences TARGET DISCOVERY, INC. (US) 2008-01-08 US disclosed
EP-1824516-A2 GLYCAN ANALYSIS USING DEUTERATED GLUCOSE Target Discovery, Inc. (US) 2007-08-29 EP disclosed
US-20070154900-A1 Methods for determining protein and peptide terminal sequences TARGET DISCOVERY, INC (US) 2007-07-05 US disclosed
US-20060120961-A1 Glycan analysis using deuterated glucose TARGET DISCOVERY, INC. (US) 2006-06-08 US disclosed
WO-2006050130-A2 GLYCAN ANALYSIS USING DEUTERATED GLUCOSE TARGET DISCOVERY, INC. (US) 2006-05-11 WO disclosed
US-20060073485-A1 Mass defect labeling for the determination of oligomer sequences TAGET DISCOVERY, INC. (US) 2006-04-06 US disclosed
US-6962818-B2 Mass defect labeling for the determination of oligomer sequences TARGET DISCOVERY (US) 2005-11-08 US disclosed
US-20040209251-A1 Methods for determining protein and peptide terminal sequences TARGET DISCOVERY, INC. 2004-10-21 US disclosed
EP-1430436-A2 METHODS FOR DETERMINING PROTEIN AND PEPTIDE TERMINAL SEQUENCES Target Discovery, Inc. (US) 2004-06-23 EP disclosed
EP-1358458-A2 MASS DEFECT LABELING FOR THE DETERMINATION OF OLIGOMER SEQUENCES Target Discovery, Inc. (US) 2003-11-05 EP disclosed
US-20020172961-A1 Mass defect labeling for the determination of oligomer sequences TARGET DISCOVERY (US) 2002-11-21 US disclosed
WO-2002066952-A2 MASS DEFECT LABELING FOR THE DETERMINATION OF OLIGOMER SEQUENCES TARGET DISCOVERY, INC (US) 2002-08-29 WO disclosed
WO-2002061661-A2 METHODS FOR DETERMINING PROTEIN AND PEPTIDE TERMINAL SEQUENCES TARGET DISCOVERY, INC. (US) 2002-08-08 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-20060120961-A1 Glycan analysis using deuterated glucose UGGT1, GALE, FUT6 KDM4E 4343/4885HDAC8 1398/4885ACHE 3671/4885

“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.