SCHEMBL4804448

SCHEMBL4804448

NC(=Nc1ccc2[nH]cc(C3=CN4CCC(CCCCCCCCCC3)CC4)c2c1)c1cccs1

nearest known ligand 0.70

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 20/20 0.70
NOS3 P29474 19/20 0.63
NOS2 P35228 6/20 0.63
SLC6A2 P23975 4/20 0.60

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
SCHEMBL1122037 0.82 NOS1 (1.00) NOS1NOS3NOS2SLC6A2
SCHEMBL1121963 0.77 NOS1 (1.00) NOS1NOS3NOS2SLC6A2
SCHEMBL1122163 0.76 NOS1 (0.67) NOS1NOS3NOS2SLC6A2
SCHEMBL4562862 0.76 NOS1 (0.88) NOS1NOS3NOS2SLC6A2
SCHEMBL1122321 0.75 NOS1 (1.00) NOS1NOS3NOS2SLC6A2
SCHEMBL2265547 0.75 NOS1 (0.98) NOS1NOS3NOS2SLC6A2
Hydrochloric Acid SCHEMBL2926470 0.75 NOS1 (0.78) NOS1NOS3NOS2SLC6A2
SCHEMBL2940255 0.75 NOS1 (0.78) NOS1NOS3NOS2SLC6A2
SCHEMBL1122040 0.75 NOS1 (1.00) NOS1NOS3NOS2SLC6A2
SCHEMBL1122008 0.74 NOS1 (1.00) NOS1NOS3NOS2SLC6A2

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-7375219-B2 Substituted indole compounds having NOS inhibitory activity NEURAXON, INC. (CA) 2008-05-20 US disclosed
US-20060258721-A1 Substituted indole compounds having NOS inhibitory activity NEURAXON INC. (CA) 2006-11-16 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-20060258721-A1 Substituted indole compounds having NOS inhibitory activity NOS2, NOS1, NOS3 NOS1 2/4885NOS3 3/4885NOS2 1/4885

“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.