SCHEMBL2224364

SCHEMBL2224364

CC(C)OC(=O)c1cccnc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
LMNA P02545 2/20 0.50
CA12 O43570 6/20 0.49
CA1 P00915 6/20 0.49
CA2 P00918 6/20 0.49
CA7 P43166 6/20 0.49
CA9 Q16790 6/20 0.49
CA14 Q9ULX7 6/20 0.49
POLB P06746 3/20 0.48
NPSR1 Q6W5P4 2/20 0.48
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
NPC1 O15118 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
TP53 P04637 1/20 0.44
ALDH1A1 P00352 5/20 0.44
HTT P42858 3/20 0.43
USP2 O75604 1/20 0.43
MEN1 O00255 1/20 0.42

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
SCHEMBL160054 0.83 MAPT (0.50) MAPTLMNACA12CA1CA2
SCHEMBL9944379 0.83 P2RX7 (0.56) MAPTLMNACA12CA1CA2
SCHEMBL28241780 0.83 MAPT (0.50) MAPTLMNACA12CA1CA2
SCHEMBL28558153 0.81 MAPT (0.49) MAPTLMNACA12CA1CA2
SCHEMBL9944381 0.81 NAPRT (0.56) MAPTLMNACA12CA1CA2
SCHEMBL2223051 0.81 LMNA (0.56) MAPTLMNAPOLBNPSR1KMT2A
SCHEMBL12517053 0.81 NAPRT (0.56) MAPTLMNACA12CA1CA2
SCHEMBL31185958 0.80 KDM4E (0.57) LMNAPOLBKMT2AKDM4EL3MBTL1
SCHEMBL107721 0.80 KDM4E (0.57) LMNAPOLBKMT2AKDM4EL3MBTL1
SCHEMBL9944383 0.80 MAPT (0.51) MAPTLMNACA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140121213-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED (GB) 2014-05-01 US disclosed
US-20140121213-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED (GB) 2014-05-01 US disclosed
US-20130023541-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED 2013-01-24 US disclosed
US-20130023541-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED 2013-01-24 US disclosed
US-20130023541-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED 2013-01-24 US disclosed
WO-2013006596-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED (GB) 2013-01-10 WO disclosed
EP-2523665-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS Glaxo Group Limited (GB) 2012-11-21 EP disclosed
WO-2011088201-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED (GB) 2011-07-21 WO disclosed
WO-2011088201-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED (GB) 2011-07-21 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 (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-20130023541-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS KCNB1, KCNB2, SCNN1B MAPT 1880/4885LMNA 611/4885CA12 3003/4885
US-20140121213-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS KCNB1, SCNN1B, TRPV1 MAPT 2771/4885LMNA 816/4885CA12 3564/4885

“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.