SCHEMBL758446

SCHEMBL758446

COc1cc(C(=O)NCCc2nc3ccccc3n2CC(F)(F)F)ccc1-n1cnc(C)c1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.58
PSEN1 P49768 5/20 0.58
PSEN2 P49810 5/20 0.58
APH1B Q8WW43 5/20 0.58
NCSTN Q92542 5/20 0.58
APH1A Q96BI3 5/20 0.58
PSENEN Q9NZ42 5/20 0.58
ALDH1A1 P00352 1/20 0.53
GAA P10253 1/20 0.47
HTT P42858 1/20 0.47
MAPT P10636 2/20 0.46
MAPK1 P28482 1/20 0.45
TP53 P04637 4/20 0.45
TDP1 Q9NUW8 1/20 0.44
POLB P06746 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
SCHEMBL760988 0.87 PSEN1 (0.59) TSHRPSEN1PSEN2APH1BNCSTN
SCHEMBL6853609 0.79 PSEN1 (0.65) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL759041 0.77 PSEN1 (0.84) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL758946 0.76 PSEN1 (0.74) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6852566 0.76 PSEN1 (0.73) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL758647 0.75 PSEN1 (0.67) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6853837 0.75 PSEN1 (0.73) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL761534 0.75 PSEN1 (0.72) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL758934 0.74 PSEN1 (1.00) TSHRPSEN1PSEN2APH1BNCSTN
SCHEMBL758281 0.74 PSEN1 (0.79) TSHRPSEN1PSEN2APH1BNCSTN

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 3 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
EP-2403835-A1 NOVEL PHENYL IMIDAZOLES AND PHENYL TRIAZOLES AS GAMMA-SECRETASE MODULATORS Pfizer Inc. (US) 2012-01-11 EP disclosed
WO-2010100606-A1 NOVEL PHENYL IMIDAZOLES AND PHENYL TRIAZOLES AS GAMMA-SECRETASE MODULATORS PFIZER INC. (US) 2010-09-10 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 TSHR 3595/4885PSEN1 3/4885PSEN2 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.