SCHEMBL16673266

SCHEMBL16673266

CC(=NCc1ccccc1)OC(C)=NCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 2/20 0.59
GRIN2B Q13224 11/20 0.48
GRIN1 Q05586 6/20 0.48
GRIN2D O15399 2/20 0.44
GRIN3B O60391 2/20 0.44
GRIN2A Q12879 2/20 0.44
GRIN2C Q14957 2/20 0.44
GRIN3A Q8TCU5 2/20 0.44
SIGMAR1 Q99720 2/20 0.44
ALDH1A1 P00352 3/20 0.41
CYP3A4 P08684 2/20 0.39
NFKB1 P19838 1/20 0.39
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TRPA1 O75762 1/20 0.39
MIF P14174 1/20 0.39
HPGD P15428 1/20 0.39
LMNA P02545 1/20 0.39

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
Hydrochloric Acid SCHEMBL18045044 0.98 NOS2 (0.57) NOS2GRIN2BGRIN1GRIN2DGRIN3B
SCHEMBL11281217 0.82 NOS2 (0.53) NOS2GRIN2BGRIN1GRIN2DGRIN3B
SCHEMBL11281212 0.82 NOS2 (0.53) NOS2GRIN2BGRIN1GRIN2DGRIN3B
SCHEMBL22068858 0.79 NOS2 (0.65) NOS2GRIN2BGRIN1GRIN2DGRIN3B
SCHEMBL22068857 0.79 NOS2 (0.65) NOS2GRIN2BGRIN1GRIN2DGRIN3B
SCHEMBL104888 0.79 NOS2 (0.65) NOS2GRIN2BGRIN1GRIN2DGRIN3B
SCHEMBL8983137 0.79 NOS2 (0.50) NOS2GRIN2BGRIN1GRIN2DGRIN3B
SCHEMBL14291059 0.76 NOS2 (0.96) NOS2GRIN2BGRIN1GRIN2DGRIN3B
SCHEMBL20675953 0.76 NOS2 (0.96) NOS2GRIN2BGRIN1GRIN2DGRIN3B
SCHEMBL6191953 0.76 NOS2 (0.61) NOS2GRIN2BGRIN1GRIN2DGRIN3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3066070-B1 CATALYTIC HYDROGENATION FOR THE PREPARATION OF AMINES FROM AMIDE ACETALS, KETENE-N, O-ACETALS OR ESTERIMIDES EVONIK DEGUSSA GMBH (DE) 2019-07-17 EP disclosed
EP-3066070-A1 CATALYTIC HYDROGENATION FOR THE PREPARATION OF AMINES FROM AMIDE ACETALS, KETENE N,O-ACETALS OR ESTER IMIDES Evonik Degussa GmbH (DE) 2016-09-14 EP disclosed
WO-2015067448-A1 CATALYTIC HYDROGENATION FOR THE PREPARATION OF AMINES FROM AMIDE ACETALS, KETENE N,O-ACETALS OR ESTER IMIDES EVONIK INDUSTRIES AG (DE) 2015-05-14 WO disclosed
EP-2868652-A1 Catalytic hydrogenation for the preparation of amines from amide acetals, ketene-N, O-acetals or esterimides Evonik Industries AG (DE) 2015-05-06 EP disclosed
US-20140107135-A1 PYRIMIDINONE INHIBITORS OF LIPOPROTEIN-ASSOCIATED PHOSPHOLIPASE A2 AUSPEX PHARMACEUTICALS, INC. (US) 2014-04-17 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 (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-20140107135-A1 PYRIMIDINONE INHIBITORS OF LIPOPROTEIN-ASSOCIATED PHOSPHOLIPASE A2 PLA2G1B, PLA2G4A, PLA2G4B NOS2 3471/4885GRIN2B 1740/4885GRIN1 2635/4885

“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.