SCHEMBL1225937

SCHEMBL1225937

CC(Nc1ncccn1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
CA12 O43570 3/20 0.40
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA9 Q16790 3/20 0.40
CA14 Q9ULX7 3/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
FFAR2 O15552 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
HDAC3 O15379 3/20 0.38
HDAC1 Q13547 3/20 0.38
HDAC2 Q92769 3/20 0.38
HDAC6 Q9UBN7 3/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL1225938 1.00 MEN1 (0.42) MEN1NPC1RAB9AKMT2ALMNA
SCHEMBL13127917 0.83 HTT (0.46) MEN1NPC1RAB9AKMT2ALMNA
SCHEMBL19243702 0.80 ALDH1A1 (0.45) MEN1NPC1RAB9AKMT2ALMNA
SCHEMBL26319653 0.80 FFAR2 (0.41) MEN1NPC1RAB9AKMT2ALMNA
Isaxonine SCHEMBL9030532 0.79 PKM (0.40) MEN1NPC1RAB9AKMT2ALMNA
Isaxonine SCHEMBL2846192 0.78 MAPK1 (0.48) MEN1NPC1RAB9AKMT2ALMNA
SCHEMBL6811033 0.77 POLB (0.55) MEN1NPC1RAB9AKMT2ALMNA
SCHEMBL44234 0.77 POLB (0.55) MEN1NPC1RAB9AKMT2ALMNA
SCHEMBL44233 0.77 POLB (0.55) MEN1NPC1RAB9AKMT2ALMNA
SCHEMBL503092 0.77 POLB (0.55) MEN1NPC1RAB9AKMT2ALMNA

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-20170145067-A1 COMPOSITIONS AND METHODS RELATED TO TAUOPATHY NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-05-25 US disclosed
US-9605042-B2 Compositions and methods related to tauopathy REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2017-03-28 US disclosed
US-20160152675-A1 COMPOSITIONS AND METHODS RELATED TO TAUOPATHY REGENTS OF THE UNIVERSITY OF MINNESOTA 2016-06-02 US disclosed
US-9200068-B2 Compositions and methods related to tauopathy REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2015-12-01 US disclosed
US-20140171373-A1 COMPOSITIONS AND METHODS RELATED TO TAUOPATHY REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2014-06-19 US disclosed
EP-2459727-A2 BIOCATALYST FOR CATALYTIC HYDROAMINATION BASF SE (DE) 2012-06-06 EP disclosed
US-20120123155-A1 BIOCATALYST FOR CATALYTIC HYDROAMINATION BASF SE (DE) 2012-05-17 US disclosed
WO-2011012632-A2 BIOCATALYST FOR CATALYTIC HYDROAMINATION BASF SE (DE) 2011-02-03 WO disclosed
EP-2280075-A1 Biocatalyst for catalytic hydroamination BASF SE (DE) 2011-02-02 EP disclosed
US-20090011400-A1 Substrate switched ammonia lyases and mutases The Salk Institute for Biological Studies and The Regents of the University of California 2009-01-08 US disclosed
WO-2008069958-A2 SUBSTRATE SWITCHED AMMONIA LYASES AND MUTASES THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2008-06-12 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 (4 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-20140171373-A1 COMPOSITIONS AND METHODS RELATED TO TAUOPATHY PSEN2, PSEN1, CASP2 MEN1 2200/4885NPC1 2791/4885RAB9A 4099/4885
US-20120123155-A1 BIOCATALYST FOR CATALYTIC HYDROAMINATION HDHD5, PAH, GRHPR MEN1 3127/4885NPC1 2831/4885RAB9A 3509/4885
US-20160152675-A1 COMPOSITIONS AND METHODS RELATED TO TAUOPATHY PSEN2, PSEN1, CASP2 MEN1 2200/4885NPC1 2791/4885RAB9A 4099/4885
US-20170145067-A1 COMPOSITIONS AND METHODS RELATED TO TAUOPATHY PSEN2, PSEN1, CASP2 MEN1 2200/4885NPC1 2791/4885RAB9A 4099/4885

“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.