SCHEMBL8469480

SCHEMBL8469480

COc1cc(-c2cccc(N3C(C)=CCC3C)n2)c(OC)cc1C=O

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 8/20 0.36
ALDH1A1 P00352 5/20 0.35
KDM4E B2RXH2 1/20 0.35
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
NOS3 P29474 4/20 0.34
MAPT P10636 1/20 0.34
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
FGFR1 P11362 1/20 0.32
NPC1 O15118 1/20 0.32
POLB P06746 1/20 0.32
RAB9A P51151 1/20 0.32
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
KCNH2 Q12809 1/20 0.31
ERN1 O75460 3/20 0.30

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
SCHEMBL8476265 0.81 NOS1 (0.60) NOS1NOS3KCNH2
SCHEMBL8275704 0.78 ALDH1A1 (0.42) NOS1ALDH1A1KDM4ETSHRTDP1
SCHEMBL6713493 0.65 NOS1 (0.44) NOS1NOS3
SCHEMBL6713498 0.65 NOS1 (0.44) NOS1NOS3
SCHEMBL30865007 0.64 ALDH1A1 (0.75) ALDH1A1KDM4ETSHRTDP1MAPT
SCHEMBL9717769 0.61 ALDH1A1 (0.58) ALDH1A1KDM4ETSHRTDP1MAPT
SCHEMBL8474944 0.61 NOS1 (0.39) NOS1ALDH1A1KDM4ENOS3MAPT
SCHEMBL3136850 0.61 ALDH1A1 (0.90) ALDH1A1KDM4ETSHRTDP1MAPT
SCHEMBL30865006 0.60 ALDH1A1 (0.62) ALDH1A1KDM4ETSHRTDP1MAPT
SCHEMBL6040625 0.60 ALDH1A1 (0.49) ALDH1A1KDM4ETSHRTDP1MAPT

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 1 patent. 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

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 2/4885ALDH1A1 362/4885KDM4E 544/4885

“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.