SCHEMBL5588541

SCHEMBL5588541

CC(C)c1ccccc1N=C(c1ccccc1)c1cccc(C(=Nc2ccccc2C(C)C)c2ccccc2)n1.[Co]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.42
NOS3 P29474 2/20 0.41
NOS1 P29475 2/20 0.41
NOS2 P35228 2/20 0.41
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
SCN5A Q14524 1/20 0.39
SCN2A Q99250 1/20 0.39
LMNA P02545 2/20 0.38
KMT2A Q03164 1/20 0.38
GABRA1 P14867 3/20 0.36
GABRB1 P18505 2/20 0.36
GAA P10253 1/20 0.35
GABRB2 P47870 2/20 0.34
FAAH O00519 1/20 0.34

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
SCHEMBL14280808 0.98 SIGMAR1 (0.43) SIGMAR1NOS3NOS1NOS2GRIN2D
SCHEMBL5589687 0.98 SIGMAR1 (0.43) SIGMAR1NOS3NOS1NOS2GRIN2D
SCHEMBL5589132 0.87 LMNA (0.42) SIGMAR1SCN5ASCN2ALMNAKMT2A
SCHEMBL5587745 0.85 ALDH1A1 (0.36) SCN5ASCN2ALMNAKMT2AGABRA1
SCHEMBL5589329 0.85 LMNA (0.43) SIGMAR1SCN5ASCN2ALMNAKMT2A
SCHEMBL16077914 0.85 LMNA (0.43) SIGMAR1SCN5ASCN2ALMNAKMT2A
SCHEMBL5589912 0.83 ALDH1A1 (0.36) SCN5ASCN2ALMNAKMT2AGABRA1
SCHEMBL5589692 0.82 LMNA (0.38) SCN5ASCN2ALMNAKMT2AGABRA1
SCHEMBL5588553 0.80 ESR2 (0.54) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL5586865 0.80 SIGMAR1 (0.45) SIGMAR1NOS3NOS1NOS2GRIN2D

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-7247687-B2 Late transition metal catalysts for olefin polymerization and oligomerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-07-24 US disclosed
US-20060047094-A1 Late transition metal catalysts for olefin polymerization and oligomerization EXXONMOBIL CHEMICAL PATENTS INC. 2006-03-02 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-20060047094-A1 Late transition metal catalysts for olefin polymerization and oligomerization MLX, LOX, LMTK3 SIGMAR1 1143/4885NOS3 1915/4885NOS1 1867/4885

“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.