Sugi Predict

Sugi Predict / Compounds / SCHEMBL156555

SCHEMBL156555

SCHEMBL156555

CCOC(=O)C1(OCc2ccc(F)c(F)c2)CCCn2c(-c3ccc(-c4cnc(C)o4)c(OC)c3)nnc21

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 9/20 0.64
▸ PSEN2 P49810 9/20 0.64
▸ APH1B Q8WW43 9/20 0.64
▸ NCSTN Q92542 9/20 0.64
▸ APH1A Q96BI3 9/20 0.64
▸ PSENEN Q9NZ42 9/20 0.64
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HSD11B1 P28845 2/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ PDE4D Q08499 1/20 0.32
▸ GYS1 P13807 1/20 0.32
▸ PTGDR2 Q9Y5Y4 2/20 0.31
▸ ROCK2 O75116 1/20 0.31
▸ ROCK1 Q13464 1/20 0.31

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
SCHEMBL158911 0.90 PSEN1 (0.63) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL155396 0.88 PSEN1 (0.79) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL137936 0.88 PSEN1 (0.78) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL155588 0.87 PSEN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL138056 0.87 PSEN1 (0.66) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL155986 0.86 PSEN1 (0.71) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL157083 0.86 PSEN1 (0.71) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL154246 0.86 PSEN1 (0.63) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL157880 0.85 PSEN1 (0.61) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL157538 0.85 PSEN1 (0.59) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8901309-B2 Fused triazoles for the treatment or prophylaxis of mild cognitive impairment TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-12-02 — — US disclosed
US-20140350260-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2014-11-27 — — US disclosed
US-8822699-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-09-02 — — US disclosed
US-20130178497-A1 FUSED TRIAZOLES FOR THE TREATMENT OR PROPHYLAXIS OF MILD COGNITIVE IMPAIRMENT TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-11 — — US disclosed
US-20120059030-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-08 — — 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 (3 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-20130178497-A1 FUSED TRIAZOLES FOR THE TREATMENT OR PROPHYLAXIS OF MILD COGNITIVE IMPAIRMENT BACE1, BACE2, APP PSEN1 4/4885PSEN2 5/4885APH1B 7/4885
US-20120059030-A1 HETEROCYCLIC COMPOUND AND USE THEREOF BACE1, BACE2, APP PSEN1 5/4885PSEN2 8/4885APH1B 6/4885
US-20140350260-A1 HETEROCYCLIC COMPOUND AND USE THEREOF BACE1, BACE2, APP PSEN1 5/4885PSEN2 8/4885APH1B 6/4885

“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.