SCHEMBL963450

SCHEMBL963450

COc1cc(NC(=NC(=O)C2(CCCCCl)SCCCS2)SC)ccc1-n1cnc(Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F11 P03951 7/20 0.36
KLKB1 P03952 7/20 0.36
PSEN1 P49768 11/20 0.36
PSEN2 P49810 11/20 0.36
APH1B Q8WW43 11/20 0.36
NCSTN Q92542 11/20 0.36
APH1A Q96BI3 11/20 0.36
PSENEN Q9NZ42 11/20 0.36
UGT1A1 P22309 1/20 0.34
KCNH2 Q12809 1/20 0.34
SLCO1B1 Q9Y6L6 1/20 0.34
AAK1 Q2M2I8 1/20 0.32

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
SCHEMBL15049685 0.77 PSEN1 (0.32) F11KLKB1PSEN1PSEN2APH1B
SCHEMBL960585 0.74 PSEN1 (0.42) F11KLKB1PSEN1PSEN2APH1B
SCHEMBL965131 0.73 F11 (0.42) F11KLKB1PSEN1PSEN2APH1B
SCHEMBL960134 0.73 PSEN1 (0.41) F11KLKB1PSEN1PSEN2APH1B
SCHEMBL961832 0.71 UGT1A1 (0.45) F11KLKB1PSEN1PSEN2APH1B
SCHEMBL962344 0.71 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
Iodide SCHEMBL960829 0.70 UGT1A1 (0.44) F11KLKB1PSEN1PSEN2APH1B
SCHEMBL964618 0.69 PSEN1 (0.42) F11KLKB1PSEN1PSEN2APH1B
SCHEMBL15049710 0.69 F11 (0.40) F11KLKB1PSEN1PSEN2APH1B
SCHEMBL961599 0.66 PSEN1 (0.46) F11KLKB1PSEN1PSEN2APH1B

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
EP-2379553-B1 BICYCLIC COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL MYERS SQUIBB CO (US) 2013-06-26 EP disclosed
US-8349880-B2 Bicyclic compounds for the reduction of beta-amyloid production BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-08 US disclosed
US-20110015175-A1 Bicyclic Compounds for the Reduction of Beta-Amyloid Production BRISTOL-MYERS SQUIBB COMPANY 2011-01-20 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-20110015175-A1 Bicyclic Compounds for the Reduction of Beta-Amyloid Production APP, BACE1, APBA1 F11 2961/4885KLKB1 4390/4885PSEN1 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.