SCHEMBL7128091

SCHEMBL7128091

NC(=Nc1cccc(Nc2noc3ccccc23)c1)c1cccs1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.50
NOS1 P29475 4/20 0.48
NOS3 P29474 3/20 0.46
NOS2 P35228 3/20 0.46
BACE1 P56817 1/20 0.43
BACE2 Q9Y5Z0 1/20 0.43

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
SCHEMBL7130674 0.78 NOS1 (0.38) EPHX2NOS1NOS3NOS2
SCHEMBL7128085 0.78 EPHX2 (0.53) EPHX2BACE1BACE2
SCHEMBL7984247 0.77 NOS1 (0.48) NOS1NOS3NOS2
SCHEMBL7115895 0.71 EPHX2 (0.71) EPHX2BACE1BACE2
SCHEMBL7084932 0.71 NOS1 (0.61) NOS1NOS3NOS2
SCHEMBL9037289 0.69 KCNK3 (0.67) NOS1NOS3NOS2
SCHEMBL4741893 0.69 EPHX2 (0.71) EPHX2BACE1BACE2
SCHEMBL14804986 0.68 EPHX2 (0.81) EPHX2BACE1BACE2
SCHEMBL6280369 0.68 NOS1 (1.00) NOS1NOS3NOS2
SCHEMBL6923001 0.68 EPHX2 (0.69) EPHX2BACE1BACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030176454-A1 N-coating heterocyclic compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-09-18 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-20030176454-A1 N-coating heterocyclic compounds H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, GNE, NIT2 EPHX2 354/4885NOS1 417/4885NOS3 538/4885

“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.