SCHEMBL4943008

SCHEMBL4943008

O=C(O)Nc1cc(CBr)ccn1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 13/20 0.51
PKM P14618 1/20 0.46
RIOK2 Q9BVS4 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LOXL2 Q9Y4K0 1/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL27827424 0.87 NR3C2 (0.56) NR3C2PKMRAB9ANPC1SMN1; SMN2
SCHEMBL163628 0.87 NR3C2 (0.49) NR3C2PKMRIOK2MEN1KMT2A
SCHEMBL21847287 0.85 L3MBTL1 (0.50) NR3C2RIOK2
SCHEMBL30893838 0.85 L3MBTL1 (0.50) NR3C2RIOK2
SCHEMBL5913167 0.84 NR3C2 (0.53) NR3C2PKMRIOK2MEN1KMT2A
SCHEMBL9934078 0.83 NR3C2 (0.51) NR3C2PKMRIOK2MEN1KMT2A
SCHEMBL27083330 0.83 LOXL2 (0.59) NR3C2PKMLOXL2
SCHEMBL5913025 0.82 NR3C2 (0.49) NR3C2PKMRIOK2MEN1KMT2A
SCHEMBL2562571 0.81 NR3C2 (0.50) NR3C2PKMRIOK2MEN1KMT2A
SCHEMBL1979971 0.81 NR3C2 (0.57) NR3C2PKMRAB9ANPC1SMN1; SMN2

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-1740581-B1 2, 4, 6-SUBSTITUTED PYRIDYL DERIVATIVE COMPOUNDS USEFUL AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME (US) 2012-08-22 EP disclosed
US-20080015233-A1 2,4,6-Substituted Pyridyl Derivative Compounds Useful as Beta-Secretase Inhibitors for the Treatment of Alzheimer's Disease MERCK SHARP & DOHME LLC 2008-01-17 US disclosed
US-20060223826-A1 Indole derivatives as somatostatin agonists or antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED INTELLECTUAL PROPERTY DEPARTMENT (JP) 2006-10-05 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 (2 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-20060223826-A1 Indole derivatives as somatostatin agonists or antagonists SSTR1, SSTR3, NPY1R NR3C2 104/4885PKM 2917/4885RIOK2 2869/4885
US-20080015233-A1 2,4,6-Substituted Pyridyl Derivative Compounds Useful as Beta-Secretase Inhibitors for the Treatment of Alzheimer's Disease BACE1, BACE2, PSEN2 NR3C2 3875/4885PKM 2803/4885RIOK2 3225/4885

“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.