SCHEMBL961780

SCHEMBL961780

COc1cc(N=C(N)SC)ccc1-n1cnc(C(F)F)c1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
HTR3A P46098 1/20 0.36
HTR3D Q70Z44 1/20 0.36
HTR3C Q8WXA8 1/20 0.36
F11 P03951 5/20 0.35
KLKB1 P03952 5/20 0.35
PSEN1 P49768 11/20 0.34
PSEN2 P49810 11/20 0.34
APH1B Q8WW43 11/20 0.34
NCSTN Q92542 11/20 0.34
APH1A Q96BI3 11/20 0.34
PSENEN Q9NZ42 11/20 0.34
NOS3 P29474 3/20 0.34
NOS1 P29475 3/20 0.34
NOS2 P35228 2/20 0.34

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
SCHEMBL12918170 1.00 HTR3E (0.36) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL12918125 0.84 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12918119 0.84 NOS3 (0.42) HTR3EHTR3BHTR3AHTR3DHTR3C
Iodide SCHEMBL963916 0.84 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
Iodide SCHEMBL961138 0.83 NOS3 (0.43) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL964114 0.78 PSEN1 (0.35) F11KLKB1PSEN1PSEN2APH1B
SCHEMBL514297 0.77 NR4A1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL961602 0.74 PSEN1 (0.44) F11KLKB1PSEN1PSEN2APH1B
Iodide SCHEMBL962860 0.74 PSEN1 (0.42) F11KLKB1PSEN1PSEN2APH1B
SCHEMBL12918137 0.73 HTR3E (0.40) HTR3EHTR3BHTR3AHTR3DHTR3C

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 HTR3E 3947/4885HTR3B 2529/4885HTR3A 3099/4885

“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.