SCHEMBL759778

SCHEMBL759778

COc1cc(C(=O)NCc2ccc(C(=O)c3ccccc3)cc2)ccc1-n1cnc(C)c1

nearest known ligand 0.77

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 12/20 0.77
PSEN2 P49810 12/20 0.77
APH1B Q8WW43 12/20 0.77
NCSTN Q92542 12/20 0.77
APH1A Q96BI3 12/20 0.77
PSENEN Q9NZ42 12/20 0.77
SMN1; SMN2 Q16637 2/20 0.50
ALDH1A1 P00352 1/20 0.50
NR1H4 Q96RI1 1/20 0.50
ROCK2 O75116 1/20 0.48
ROCK1 Q13464 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MAPT P10636 1/20 0.48
KDM1A O60341 1/20 0.47
HDAC1 Q13547 1/20 0.47
KCNH2 Q12809 1/20 0.46

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
SCHEMBL757078 0.94 PSEN1 (0.82) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6854886 0.88 PSEN1 (0.70) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6852715 0.88 PSEN1 (0.71) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6853529 0.88 PSEN1 (0.75) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6853844 0.87 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL29940286 0.87 PSEN1 (0.63) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6853569 0.86 PSEN1 (0.71) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6854213 0.86 PSEN1 (0.67) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6855210 0.86 PSEN1 (0.78) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL759035 0.85 PSEN1 (0.80) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120053165-A1 Novel Phenyl Imidazoles and Phenyl Triazoles As Gamma-Secretase Modulators PFIZER INC. (US) 2012-03-01 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-20120053165-A1 Novel Phenyl Imidazoles and Phenyl Triazoles As Gamma-Secretase Modulators BACE1, BACE2, PSEN1 PSEN1 3/4885PSEN2 4/4885APH1B 7/4885

“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.