SCHEMBL4484844

SCHEMBL4484844

CC(C)(C)CCc1ccc(N=C(N)c2cccs2)cc1

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 4/20 0.57
NOS3 P29474 4/20 0.56
NOS2 P35228 3/20 0.56

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
SCHEMBL9036776 0.83 NOS1 (0.61) NOS1NOS3NOS2
SCHEMBL5378871 0.83 NOS1 (0.64) NOS1NOS3NOS2
SCHEMBL5378876 0.83 NOS1 (0.64) NOS1NOS3NOS2
Hydrochloric Acid SCHEMBL9221366 0.82 NOS1 (0.60) NOS1NOS3NOS2
Bromide SCHEMBL6968094 0.82 NOS1 (0.60) NOS1NOS3NOS2
SCHEMBL6966862 0.81 NOS1 (0.65) NOS1NOS3NOS2
SCHEMBL4484843 0.80 NOS1 (0.56) NOS1NOS3NOS2
SCHEMBL6282318 0.80 NOS1 (0.76) NOS1NOS3NOS2
SCHEMBL6282320 0.80 NOS1 (0.76) NOS1NOS3NOS2
SCHEMBL14370704 0.80 NOS1 (0.76) NOS1NOS3NOS2

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-7473779-B2 Derivatives of amidines, their preparation, their use as medicaments and the pharmaceutical compositions containing them SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2009-01-06 US disclosed
US-20050261269-A1 New derivatives of amidines, their preparation, their use as medicaments and the pharmaceutical compositions containing them SOCIETE DE CONSEILS DE RECHERCHES ET D' APPLICATIONS SCIENTIFIQUES (S.C.R.A.S) 2005-11-24 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-20050261269-A1 New derivatives of amidines, their preparation, their use as medicaments and the pharmaceutical compositions containing them 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.