SCHEMBL5587571

SCHEMBL5587571

CC(=Nc1ccccc1C(C)C)c1ccnc(C(C)=Nc2ccccc2C(C)C)n1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.40
NOS3 P29474 2/20 0.40
NOS1 P29475 2/20 0.40
NOS2 P35228 2/20 0.40
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 1/20 0.40
GRIN3A Q8TCU5 1/20 0.40
SCN5A Q14524 1/20 0.34
SCN2A Q99250 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32

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
SCHEMBL16077921 1.00 SIGMAR1 (0.40) SIGMAR1NOS3NOS1NOS2GRIN2D
SCHEMBL5590403 0.84 GABRA1 (0.34) GABRA1GABRB2
SCHEMBL16077917 0.84 GABRA1 (0.34) GABRA1GABRB2
SCHEMBL5587414 0.83 TRPA1 (0.33)
SCHEMBL16077922 0.82 SIGMAR1 (0.43) SIGMAR1NOS3NOS1NOS2GRIN2D
SCHEMBL5589848 0.82 SIGMAR1 (0.43) SIGMAR1NOS3NOS1NOS2GRIN2D
Hydrochloric Acid SCHEMBL5833496 0.82 SIGMAR1 (0.44) SIGMAR1NOS3NOS1NOS2GRIN2D
Hydrochloric Acid SCHEMBL3291945 0.82 SIGMAR1 (0.44) SIGMAR1NOS3NOS1NOS2GRIN2D
Hydrochloric Acid SCHEMBL3291942 0.82 SIGMAR1 (0.44) SIGMAR1NOS3NOS1NOS2GRIN2D
SCHEMBL4618223 0.82 SIGMAR1 (0.46) 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 3 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
EP-1521758-B1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEM PATENTS INC (US) 2006-05-24 EP 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.