SCHEMBL6469018

SCHEMBL6469018

CCCC(NC(=O)Cc1cccc(Oc2ccccc2)c1)C(=O)Nc1ccncn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.47
CYP3A4 P08684 2/20 0.47
PSEN1 P49768 5/20 0.44
PSEN2 P49810 5/20 0.44
APH1B Q8WW43 5/20 0.44
NCSTN Q92542 5/20 0.44
APH1A Q96BI3 5/20 0.44
PSENEN Q9NZ42 5/20 0.44
S1PR1 P21453 1/20 0.43
PRKACA P17612 1/20 0.42
ROCK1 Q13464 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PTGES O14684 1/20 0.42
MME P08473 1/20 0.42
ACE P12821 1/20 0.42
CPA1 P15085 1/20 0.42
ACE2 Q9BYF1 1/20 0.42
FFAR1 O14842 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
SCHEMBL5040974 0.88 FAAH (0.42) FAAHCYP3A4PSEN1PSEN2APH1B
SCHEMBL5040970 0.87 FAAH (0.41) FAAHCYP3A4PSEN1PSEN2APH1B
SCHEMBL6469284 0.87 GAA (0.47) FAAHPSEN1PSEN2APH1BNCSTN
SCHEMBL6468835 0.86 MME (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5047006 0.81 S1PR1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5041099 0.81 S1PR1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6468924 0.80 PSEN1 (0.62) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3902883 0.79 MME (0.56) ALDH1A1LMNASMN1; SMN2PTGESMME
SCHEMBL5139716 0.77 ALDH1A1 (0.52) ALDH1A1LMNASMN1; SMN2PTGESMME
SCHEMBL8258819 0.77 PSEN1 (0.68) PSEN1PSEN2APH1BNCSTNAPH1A

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-20050107381-A1 6-membered heteroaryl compounds for the treatment of neurodegenerative disorders PFIZER, INC. 2005-05-19 US claimed
US-20050107381-A1 6-membered heteroaryl compounds for the treatment of neurodegenerative disorders PFIZER, INC. 2005-05-19 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 (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-20050107381-A1 6-membered heteroaryl compounds for the treatment of neurodegenerative disorders APP, BACE1, SNCA FAAH 2514/4885CYP3A4 3351/4885PSEN1 4/4885

“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.