SCHEMBL13040656

SCHEMBL13040656

Cc1cc(CCCF)nc(-n2c(C)ccc2C)c1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 13/20 0.55
NOS1 P29475 11/20 0.55
NOS3 P29474 9/20 0.55

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
SCHEMBL13040653 0.94 NOS2 (0.55) NOS2NOS1NOS3
SCHEMBL13040665 0.90 NOS2 (0.42) NOS2NOS1NOS3
SCHEMBL6166695 0.86 NOS2 (0.45) NOS2NOS1NOS3
SCHEMBL8329772 0.84 NOS2 (0.39) NOS2NOS1NOS3
SCHEMBL8330518 0.83 NOS2 (0.40) NOS2NOS1NOS3
SCHEMBL6164525 0.83 NOS2 (0.39) NOS2NOS1NOS3
SCHEMBL8328137 0.82 NOS2 (0.51) NOS2NOS1NOS3
SCHEMBL6167004 0.82 NOS2 (0.38) NOS2NOS1NOS3
SCHEMBL8330353 0.82 NOS2 (0.38) NOS2NOS1NOS3
SCHEMBL13040655 0.82 NOS2 (0.38) NOS2NOS1NOS3

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-20100278751-A1 RADIOLABELED 2-AMINO-4-ALKYL-6-(HALOALKYL)PYRIDINE COMPOUNDS AND THEIR USE IN DIAGNOSTIC IMAGING WASHINGTON UNIVERSITY (US) 2010-11-04 US disclosed
US-20100278751-A1 RADIOLABELED 2-AMINO-4-ALKYL-6-(HALOALKYL)PYRIDINE COMPOUNDS AND THEIR USE IN DIAGNOSTIC IMAGING WASHINGTON UNIVERSITY (US) 2010-11-04 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-20100278751-A1 RADIOLABELED 2-AMINO-4-ALKYL-6-(HALOALKYL)PYRIDINE COMPOUNDS AND THEIR USE IN DIAGNOSTIC IMAGING NOS2, NOS3, NOS1 NOS2 1/4885NOS1 3/4885NOS3 2/4885

“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.