SCHEMBL756696

SCHEMBL756696

COc1cc(C(=O)NCc2csc(-c3ccc(C(F)(F)F)cc3)n2)ccc1-n1cnc(C)c1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 14/20 0.68
PSEN2 P49810 14/20 0.68
APH1B Q8WW43 14/20 0.68
NCSTN Q92542 14/20 0.68
APH1A Q96BI3 14/20 0.68
PSENEN Q9NZ42 14/20 0.68
POLB P06746 1/20 0.50
RHOC P08134 1/20 0.50
RHOA P61586 1/20 0.50
TP53 P04637 2/20 0.49
MAPT P10636 2/20 0.49
ROCK2 O75116 1/20 0.49
ROCK1 Q13464 1/20 0.49
LMNA P02545 1/20 0.49

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
SCHEMBL755936 0.90 PSEN1 (0.67) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL759721 0.85 KDM4E (0.60) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL759619 0.81 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL758947 0.80 PSEN1 (0.79) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL759617 0.79 PSEN1 (0.59) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6853569 0.79 PSEN1 (0.71) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL757622 0.77 PSEN1 (0.62) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL761524 0.77 PSEN1 (0.74) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL759006 0.77 PSEN1 (0.64) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL758687 0.77 PSEN1 (0.74) 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.