SCHEMBL758784

SCHEMBL758784

COc1cc(C(=O)Nc2[nH]nc(C)c2-c2cccc(C(F)(F)F)c2)ccc1-n1cnc(C)c1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 17/20 0.63
PSEN2 P49810 17/20 0.63
APH1B Q8WW43 17/20 0.63
NCSTN Q92542 17/20 0.63
APH1A Q96BI3 17/20 0.63
PSENEN Q9NZ42 17/20 0.63
KCNH2 Q12809 1/20 0.46
RAF1 P04049 1/20 0.45
BRAF P15056 1/20 0.45
LDLR P01130 1/20 0.44
KIT P10721 1/20 0.44
PCSK9 Q8NBP7 1/20 0.44
NR2E1 Q9Y466 1/20 0.43

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
SCHEMBL29940295 0.80 PSEN1 (0.65) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL761508 0.79 PSEN1 (0.72) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL759619 0.77 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL759041 0.76 PSEN1 (0.84) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6915286 0.75 PSEN1 (0.59) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6914416 0.74 PSEN1 (0.71) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL960263 0.74 PSEN1 (0.71) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9278737 0.74 PSEN1 (0.71) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL759555 0.74 PSEN1 (0.71) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL756754 0.72 PSEN1 (0.69) 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 4 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 claimed
EP-2403835-A1 NOVEL PHENYL IMIDAZOLES AND PHENYL TRIAZOLES AS GAMMA-SECRETASE MODULATORS Pfizer Inc. (US) 2012-01-11 EP claimed
WO-2010100606-A1 NOVEL PHENYL IMIDAZOLES AND PHENYL TRIAZOLES AS GAMMA-SECRETASE MODULATORS PFIZER INC. (US) 2010-09-10 WO claimed
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.