SCHEMBL15944878

SCHEMBL15944878

CC(C)(C)/C(Cl)=N/Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 1/20 0.50
GRIN2B Q13224 14/20 0.46
GRIN1 Q05586 8/20 0.46
GRIN2D O15399 2/20 0.42
GRIN3B O60391 2/20 0.42
GRIN2A Q12879 2/20 0.42
GRIN2C Q14957 2/20 0.42
GRIN3A Q8TCU5 2/20 0.42
SIGMAR1 Q99720 2/20 0.42
SLC6A2 P23975 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
TRPA1 O75762 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
MIF P14174 1/20 0.36
HPGD P15428 1/20 0.36
SCN2A Q99250 1/20 0.36

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
SCHEMBL7763107 0.80 GRIN2B (0.47) NOS2GRIN2BGRIN1GRIN2DGRIN3B
SCHEMBL14189112 0.79 NOS2 (0.53) NOS2GRIN2BGRIN1GRIN2DGRIN3B
SCHEMBL8544170 0.74 GRIN2B (0.53) NOS2GRIN2BGRIN1GRIN2DGRIN3B
SCHEMBL14215819 0.74 NOS2 (0.48) NOS2GRIN2BGRIN1GRIN2DGRIN3B
SCHEMBL6191953 0.72 NOS2 (0.61) NOS2GRIN2BGRIN1GRIN2DGRIN3B
SCHEMBL22068858 0.72 NOS2 (0.65) NOS2GRIN2BGRIN1GRIN2DGRIN3B
SCHEMBL22068857 0.72 NOS2 (0.65) NOS2GRIN2BGRIN1GRIN2DGRIN3B
SCHEMBL104888 0.72 NOS2 (0.65) NOS2GRIN2BGRIN1GRIN2DGRIN3B
SCHEMBL7466196 0.71 GRIN2B (0.59) NOS2GRIN2BGRIN1GRIN2DGRIN3B
SCHEMBL7830039 0.71 GRIN2B (0.59) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140228579-A1 METHOD FOR THE CATALYTIC REDUCTION OF ACID CHLORIDES AND IMIDOYL CHLORIDES Brock Unviersity (CA) 2014-08-14 US disclosed
US-20140228579-A1 METHOD FOR THE CATALYTIC REDUCTION OF ACID CHLORIDES AND IMIDOYL CHLORIDES Brock Unviersity (CA) 2014-08-14 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-20140228579-A1 METHOD FOR THE CATALYTIC REDUCTION OF ACID CHLORIDES AND IMIDOYL CHLORIDES CA6, RUVBL2, HACL2 NOS2 1337/4885GRIN2B 1330/4885GRIN1 1346/4885

“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.