SCHEMBL1080403

SCHEMBL1080403

Nc1ccn(C[C@H](O)CO)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CSNK2A1 P68400 1/20 0.37
ADORA2A P29274 2/20 0.36
AHCY P23526 1/20 0.36
ADORA2B P29275 1/20 0.34
ADORA1 P30542 1/20 0.34
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.31
ATM Q13315 1/20 0.31
FGFR1 P11362 1/20 0.31
SLC22A6 Q4U2R8 1/20 0.31
RORC P51449 2/20 0.30
BRAF P15056 1/20 0.30

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
SCHEMBL1067071 1.00 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AL3MBTL1TDP1
SCHEMBL1067067 1.00 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AL3MBTL1TDP1
Hydrochloric Acid SCHEMBL1082148 0.98 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AL3MBTL1TDP1
SCHEMBL2660633 0.81 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AL3MBTL1TDP1
SCHEMBL2151487 0.80 DNM1 (0.43) ALDH1A1MEN1KMT2AL3MBTL1TDP1
SCHEMBL2158567 0.80 DNM1 (0.43) ALDH1A1MEN1KMT2AL3MBTL1TDP1
SCHEMBL2660802 0.80 MAPT (0.38) ALDH1A1MEN1KMT2AL3MBTL1TDP1
SCHEMBL24884401 0.79 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AL3MBTL1TDP1
SCHEMBL12200444 0.78 NOS1 (0.39) ALDH1A1L3MBTL1CSNK2A1ADRA2AADRA2B
SCHEMBL2669048 0.78 NOS1 (0.39) ALDH1A1L3MBTL1CSNK2A1ADRA2AADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2274297-B1 PYRROLIDINONE GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2012-05-09 EP claimed
US-7741327-B2 Pyrrolidinone glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2010-06-22 US claimed
US-20090264445-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS BERTHEL STEVEN JOSEPH 2009-10-22 US claimed
US-8697705-B2 Isoindolinone derivatives HOFFMANN-LA ROCHE INC. (US) 2014-04-15 US disclosed
EP-2705033-A1 ISOINDOLINONE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2014-03-12 EP disclosed
US-20130296339-A1 ISOINDOLINONE DERIVATIVES HOFFMANN LA ROCHE (US) 2013-11-07 US disclosed
US-8470866-B2 Isoindolinone derivatives HOFFMANN-LA ROCHE INC. (US) 2013-06-25 US disclosed
WO-2012150202-A1 ISOINDOLINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-11-08 WO disclosed
US-20120283271-A1 ISOINDOLINONE DERIVATIVES BERTHEL STEVEN JOSEPH (US) 2012-11-08 US disclosed
EP-2274297-B1 PYRROLIDINONE GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2012-05-09 EP disclosed
US-7935699-B2 Pyrazole glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2011-05-03 US disclosed
EP-2274297-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS F. Hoffmann-La Roche AG (CH) 2011-01-19 EP disclosed
EP-2261216-A2 Pyrazoles as glucokinase activators F. Hoffmann-La Roche AG (CH) 2010-12-15 EP disclosed
EP-2236498-A1 PHENYL ACETAMIDE DERIVATIVE Astellas Pharma Inc. (JP) 2010-10-06 EP disclosed
US-7741327-B2 Pyrrolidinone glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2010-06-22 US disclosed
US-20090264445-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS BERTHEL STEVEN JOSEPH 2009-10-22 US disclosed
WO-2009127546-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2009-10-22 WO disclosed
EP-2046755-A2 PYRAZOLES AS GLUCOKINASE ACTIVATORS F. Hoffmann-Roche AG (CH) 2009-04-15 EP disclosed
WO-2008012227-A2 PYRAZOLES AS GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2008-01-31 WO disclosed
US-20080021032-A1 Pyrazole glucokinase activators BERTHEL STEVEN JOSEPH 2008-01-24 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 (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-20120283271-A1 ISOINDOLINONE DERIVATIVES GCK, GCKR, PDK2 ALDH1A1 523/4885MEN1 3350/4885KMT2A 3130/4885
US-20090264445-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS GCKR, GCK, PDK2 ALDH1A1 1129/4885MEN1 2997/4885KMT2A 2072/4885
US-20130296339-A1 ISOINDOLINONE DERIVATIVES GCK, GCKR, PDK2 ALDH1A1 523/4885MEN1 3350/4885KMT2A 3130/4885
US-20080021032-A1 Pyrazole glucokinase activators GCKR, GCK, GALK1 ALDH1A1 1567/4885MEN1 4026/4885KMT2A 4296/4885

“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.