SCHEMBL8276002

SCHEMBL8276002

CCc1cc(-c2cccc(N)n2)c(OC)cc1CCNC1CCCC1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 8/20 0.63
▸ NOS3 P29474 4/20 0.63
▸ KCNH2 Q12809 3/20 0.46
▸ ALDH1A1 P00352 3/20 0.40
▸ MEN1 O00255 2/20 0.38
▸ GAA P10253 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ ALOX12 P18054 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL8276006 0.99 NOS1 (0.62) NOS1NOS3KCNH2ALDH1A1MEN1
SCHEMBL8276050 0.98 NOS1 (0.63) NOS1NOS3KCNH2ALDH1A1MEN1
SCHEMBL8276047 0.96 NOS1 (0.66) NOS1NOS3KCNH2ALDH1A1MEN1
SCHEMBL8275735 0.90 NOS1 (0.62) NOS1NOS3KCNH2ALDH1A1MEN1
SCHEMBL8275738 0.89 NOS1 (0.61) NOS1NOS3KCNH2ALDH1A1MEN1
SCHEMBL8275779 0.88 NOS1 (0.62) NOS1NOS3KCNH2ALDH1A1MEN1
SCHEMBL8275778 0.85 NOS1 (0.64) NOS1NOS3KCNH2ALDH1A1MEN1
SCHEMBL8276013 0.83 NOS1 (0.68) NOS1NOS3
SCHEMBL8276020 0.83 NOS1 (0.71) NOS1NOS3
SCHEMBL8275828 0.82 NOS1 (0.60) NOS1NOS3KCNH2ALDH1A1MEN1

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-20040077853-A1 2-amino-6-(2,4,5-substituted-phenyl)-pyridines PFIZER INC. 2004-04-22 — — US disclosed
US-20040077853-A1 2-amino-6-(2,4,5-substituted-phenyl)-pyridines PFIZER INC. 2004-04-22 — — 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-20040077853-A1 2-amino-6-(2,4,5-substituted-phenyl)-pyridines NOS3, NOS1, NOS2 NOS1 2/4885NOS3 1/4885KCNH2 311/4885

“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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