SCHEMBL11894166

SCHEMBL11894166

NC(=O)Cc1c[c]cc(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.41
SIRT1 Q96EB6 7/20 0.40
HTT P42858 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
PDE4B Q07343 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.35
NPC1 O15118 1/20 0.35
HTR3E A5X5Y0 1/20 0.35
HTR3B O95264 1/20 0.35
HTR3A P46098 1/20 0.35
HTR3D Q70Z44 1/20 0.35
HTR3C Q8WXA8 1/20 0.35
MAOB P27338 1/20 0.33

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
SCHEMBL1569828 0.80 CA2 (0.41) CA2SIRT1HTTNPC1
SCHEMBL3340425 0.79 CA2 (0.46) CA2SIRT1HTTHTR3EHTR3B
Hydrochloric Acid SCHEMBL3341453 0.77 IDO1 (0.45) CA2SIRT1HTTHTR3EHTR3B
SCHEMBL26423640 0.72 HTR3E (0.67) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL1651345 0.72 CA2 (0.50) CA2SIRT1CYP3A4NPC1HTR3E
SCHEMBL1395822 0.72 HTR3E (0.67) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL27278977 0.72
SCHEMBL160978 0.72
SCHEMBL3337235 0.71 IDO1 (0.32) CYP3A4
SCHEMBL1510335 0.71 KEAP1 (0.45) CA2

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
EP-2670738-A2 1,4 OXAZINES AS BACE1 AND/OR BACE2 INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2013-12-11 EP disclosed
US-8399459-B2 1,4 oxazines as BACE1 and/or BACE2 inhibitors HOFFMANN-LA ROCHE INC. (US) 2013-03-19 US disclosed
WO-2012104263-A2 1,4 OXAZINES AS BACE1 AND/OR BACE2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-08-09 WO disclosed
US-20120196863-A1 1,4 OXAZINES AS BACE1 AND/OR BACE2 INHIBITORS SIENA BIOTECH S.P.A. (IT) 2012-08-02 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-20120196863-A1 1,4 OXAZINES AS BACE1 AND/OR BACE2 INHIBITORS BACE2, BACE1, PSEN1 CA2 595/4885SIRT1 923/4885HTT 2369/4885

“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.