SCHEMBL19487048

SCHEMBL19487048

COCc1cc(C)cc(N)n1

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ NOS2 P35228 14/20 0.62
▸ NOS3 P29474 11/20 0.62
▸ NOS1 P29475 11/20 0.58

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
SCHEMBL19241056 0.84 NOS3 (0.59) NOS2NOS3NOS1
SCHEMBL19240920 0.79 NOS2 (0.64) NOS2NOS3NOS1
SCHEMBL12093365 0.79 NOS3 (0.41) NOS2NOS3NOS1
SCHEMBL7049604 0.77 NOS2 (1.00) NOS2NOS3NOS1
SCHEMBL15259149 0.77 NOS2 (0.69) NOS2NOS3NOS1
SCHEMBL5673354 0.75 NOS2 (0.67) NOS2NOS3NOS1
SCHEMBL13040600 0.74 NOS2 (0.69) NOS2NOS3NOS1
SCHEMBL17721458 0.73 NOS2 (0.79) NOS2NOS3NOS1
Hydrochloric Acid SCHEMBL5674986 0.73 NOS2 (0.64) NOS2NOS3NOS1
SCHEMBL6279267 0.73 NOS2 (0.71) NOS2NOS3NOS1

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-10167260-B2 2-aminopyridine-based selective neuronal nitric oxide synthase inhibitors NORTHWESTERN UNIVERSITY (US) 2019-01-01 — — US disclosed
US-20170298021-A1 2-Aminopyridine-based Selective Neuronal Nitric Oxide Synthase Inhibitors NORTHWESTERN UNIVERSITY (US) 2017-10-19 — — 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 (2 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-10167260-B2 2-aminopyridine-based selective neuronal nitric oxide synthase inhibitors NOS2, NOS1, NOS3 NOS2 1/4885NOS3 3/4885NOS1 2/4885
US-20170298021-A1 2-Aminopyridine-based Selective Neuronal Nitric Oxide Synthase Inhibitors NOS2, NOS1, NOS3 NOS2 1/4885NOS3 3/4885NOS1 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.

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