SCHEMBL759619

SCHEMBL759619

COc1cc(C(=O)NCc2cccc(C(F)(F)F)c2)ccc1-n1cnc(C)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 14/20 1.00
PSEN2 P49810 14/20 1.00
APH1B Q8WW43 14/20 1.00
NCSTN Q92542 14/20 1.00
APH1A Q96BI3 14/20 1.00
PSENEN Q9NZ42 14/20 1.00
ROCK2 O75116 1/20 0.59
ROCK1 Q13464 1/20 0.59
KCNH2 Q12809 1/20 0.57
PPARG P37231 1/20 0.51
MLYCD O95822 1/20 0.51

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
SCHEMBL759041 0.91 PSEN1 (0.84) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL758947 0.89 PSEN1 (0.79) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL760500 0.88 PSEN1 (0.78) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6853565 0.87 PSEN1 (0.80) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL757740 0.86 PSEN1 (0.78) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6855210 0.86 PSEN1 (0.78) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6853844 0.85 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL761524 0.85 PSEN1 (0.74) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL758687 0.85 PSEN1 (0.74) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL757078 0.85 PSEN1 (0.82) 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-20120053165-A1 Novel Phenyl Imidazoles and Phenyl Triazoles As Gamma-Secretase Modulators PFIZER INC. (US) 2012-03-01 US disclosed
WO-2011059048-A1 NOVEL AMIDE DERIVATIVE 大日本住友製薬株式会社 (JP) 2011-05-19 WO 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.