SCHEMBL14701554

SCHEMBL14701554

Cc1cc(CCc2cc(C#N)cc(CCc3cc(C)cc(-n4c(C)ccc4C)n3)c2)nc(-n2c(C)ccc2C)c1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 3/20 0.51
NOS3 P29474 1/20 0.51
NOS2 P35228 6/20 0.43
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL17708617 0.92 NOS1 (0.44) NOS1NOS3NOS2KDM4EALDH1A1
SCHEMBL17708666 0.89 NOS1 (0.46) NOS1NOS3NOS2KDM4EALDH1A1
SCHEMBL7737894 0.83 NOS1 (0.43) NOS1NOS3NOS2
SCHEMBL2834751 0.83 NOS1 (0.44) NOS1NOS3NOS2
SCHEMBL17708654 0.82 NOS2 (0.71) NOS1NOS3NOS2
SCHEMBL22566645 0.82 NOS2 (0.42) NOS1NOS3NOS2KDM4EALDH1A1
SCHEMBL2836244 0.82 NOS1 (0.59) NOS1NOS3NOS2
SCHEMBL17708541 0.81 NOS2 (0.72) NOS1NOS3NOS2
SCHEMBL2836248 0.81 NOS1 (0.57) NOS1NOS3NOS2
SCHEMBL17708640 0.80 NOS2 (0.50) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8932842-B2 Aminopyridine dimer compounds, compositions and related methods for neuronal nitric oxide synthase inhibition NORTHWESTERN UNIVERSITY (US) 2015-01-13 US disclosed
US-8932842-B2 Aminopyridine dimer compounds, compositions and related methods for neuronal nitric oxide synthase inhibition NORTHWESTERN UNIVERSITY (US) 2015-01-13 US disclosed
US-20130040359-A1 Aminopyridine dimer compounds, compositions and related methods for neuronal nitric oxide synthase inhibition NORTHWESTERN UNIVERSITY (US) 2013-02-14 US disclosed
US-20130040359-A1 Aminopyridine dimer compounds, compositions and related methods for neuronal nitric oxide synthase inhibition NORTHWESTERN UNIVERSITY (US) 2013-02-14 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-20130040359-A1 Aminopyridine dimer compounds, compositions and related methods for neuronal nitric oxide synthase inhibition 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.