SCHEMBL961340

SCHEMBL961340

COc1cc(NC(=NC(=O)C(CCCCCl)c2ccc(F)cc2)SC)ccc1-c1nc(C)no1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
MAPT P10636 4/20 0.38
GAA P10253 2/20 0.38
TP53 P04637 2/20 0.38
F11 P03951 7/20 0.37
KLKB1 P03952 7/20 0.37
HCRTR1 O43613 2/20 0.34
HCRTR2 O43614 2/20 0.34
HSD17B10 Q99714 2/20 0.33
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
HAVCR2 Q8TDQ0 1/20 0.32
ALOX15 P16050 1/20 0.32
CASP1 P29466 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
SCHEMBL2514488 0.90 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL963212 0.89 F11 (0.36) MAPTF11KLKB1HSD17B10KDM4E
SCHEMBL2514939 0.84 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL963213 0.83 AAK1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL960585 0.75 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2514937 0.74 HCRTR1 (0.33) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL961349 0.74 PSEN1 (0.33) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL960321 0.72 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2490736 0.70 SLC6A3 (0.30)
SCHEMBL961342 0.69 SLC6A3 (0.31)

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 PSEN1 6/4885PSEN2 7/4885APH1B 13/4885

“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.