SCHEMBL8276001

SCHEMBL8276001

COCC(C)NCc1cc(OC)c(-c2cccc(N)n2)cc1OC

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 8/20 0.60
▸ NOS3 P29474 4/20 0.51
▸ ALDH1A1 P00352 6/20 0.45
▸ KDM4E B2RXH2 5/20 0.44
▸ TDP1 Q9NUW8 3/20 0.44
▸ CYP2D6 P10635 1/20 0.40
▸ CD274 Q9NZQ7 3/20 0.38
▸ PDCD1LG2 Q9BQ51 2/20 0.38
▸ TRPM8 Q7Z2W7 1/20 0.36
▸ PDCD1 Q15116 1/20 0.36

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
SCHEMBL8275756 0.90 NOS1 (0.62) NOS1NOS3ALDH1A1KDM4ETDP1
SCHEMBL8275871 0.90 NOS1 (0.61) NOS1NOS3CD274PDCD1LG2TRPM8
SCHEMBL8275839 0.89 NOS1 (0.65) NOS1NOS3CD274PDCD1LG2
SCHEMBL8275988 0.86 NOS1 (0.62) NOS1NOS3ALDH1A1KDM4ECD274
SCHEMBL8275994 0.82 NOS1 (0.69) NOS1NOS3ALDH1A1KDM4ECD274
SCHEMBL8275984 0.82 NOS1 (0.62) NOS1NOS3ALDH1A1KDM4ECD274
SCHEMBL8275903 0.80 NOS1 (0.60) NOS1NOS3ALDH1A1KDM4ECD274
SCHEMBL8275869 0.80 NOS1 (0.60) NOS1NOS3ALDH1A1KDM4ECD274
SCHEMBL8275836 0.79 NOS1 (0.65) NOS1NOS3ALDH1A1KDM4ECD274
SCHEMBL8275999 0.79 NOS1 (0.65) NOS1NOS3

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 1/4885ALDH1A1 362/4885

“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.

Send feedback