SCHEMBL2669008

SCHEMBL2669008

NCC(O)Cn1ccc([N+](=O)[O-])n1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.47
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.42
GAA P10253 3/20 0.42
POLB P06746 1/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C19 P33261 2/20 0.41
RECQL P46063 1/20 0.41
CYP2D6 P10635 1/20 0.41
F2 P00734 2/20 0.39
PLAU P00749 2/20 0.39
KLKB1 P03952 2/20 0.39
ELANE P08246 2/20 0.39
MEN1 O00255 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
SCHEMBL1083335 1.00 PKM (0.47) PKMKMT2AALDH1A1LMNAGAA
SCHEMBL1062141 0.86 PKM (0.48) PKMKMT2AALDH1A1LMNAGAA
SCHEMBL1062138 0.86 PKM (0.48) PKMKMT2AALDH1A1LMNAGAA
SCHEMBL1063438 0.86 PKM (0.48) PKMKMT2AALDH1A1LMNAGAA
SCHEMBL21826769 0.81 KMT2A (0.49) PKMKMT2AALDH1A1LMNAGAA
SCHEMBL25859811 0.81 KMT2A (0.49) PKMKMT2AALDH1A1LMNAGAA
SCHEMBL1868760 0.81 KMT2A (0.49) PKMKMT2AALDH1A1LMNAGAA
SCHEMBL3378766 0.81 KMT2A (0.44) PKMKMT2AALDH1A1LMNAGAA
SCHEMBL2661624 0.81 PKM (0.47) PKMKMT2AALDH1A1LMNAGAA
SCHEMBL3378759 0.81 KMT2A (0.44) PKMKMT2AALDH1A1LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178689-B2 Tricyclic compounds HOFFMAN-LA ROCHE INC. (US) 2012-05-15 US disclosed
EP-2274297-B1 PYRROLIDINONE GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2012-05-09 EP disclosed
US-20110313002-A1 TRICYCLIC COMPOUNDS SARABU RAMAKANTH (US) 2011-12-22 US disclosed
WO-2011157682-A1 3-OXO-3,9-DIHYDRO-1H-CHROMENO[2,3-C]PYRROLES AS GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-12-22 WO disclosed
CN-102007118-A Pyrrolidinone glucokinase activators HOFFMANN LA ROCHE 2011-04-06 CN disclosed
US-7741327-B2 Pyrrolidinone glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2010-06-22 US disclosed
US-7741327-B2 Pyrrolidinone glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2010-06-22 US 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
US-20090264445-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS BERTHEL STEVEN JOSEPH 2009-10-22 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

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-20090264445-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS GCKR, GCK, PDK2 PKM 23/4885KMT2A 2072/4885ALDH1A1 1129/4885
US-20110313002-A1 TRICYCLIC COMPOUNDS GPR119, PC, GOT2 PKM 806/4885KMT2A 3535/4885ALDH1A1 545/4885

“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.