SCHEMBL4016001

SCHEMBL4016001

O=C(O)c1ccc2nc(-c3cccc(Cl)c3Cl)oc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 5/20 0.61
ALB P02768 1/20 0.61
MAOA P21397 1/20 0.61
CNR1 P21554 1/20 0.61
DRD1 P21728 1/20 0.61
OPRD1 P41143 1/20 0.61
PDE4D Q08499 1/20 0.61
PDE3A Q14432 1/20 0.61
UTRN P46939 2/20 0.54
MAPT P10636 4/20 0.51
TP53 P04637 2/20 0.51
HDAC3 O15379 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
THRB P10828 1/20 0.48
ESR1 P03372 4/20 0.44
ESR2 Q92731 4/20 0.44
HPSE Q9Y251 2/20 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
SCHEMBL12704771 0.90 HDAC6 (0.61) TTRALBMAOACNR1DRD1
SCHEMBL460247 0.85 TTR (0.69) TTRALBMAOACNR1DRD1
SCHEMBL12704769 0.81 TTR (0.60) TTRALBMAOACNR1DRD1
SCHEMBL12704759 0.81 TTR (0.66) TTRALBMAOACNR1DRD1
SCHEMBL12704761 0.81 TTR (0.66) TTRALBMAOACNR1DRD1
SCHEMBL1675530 0.79 MAOA (0.56) TTRALBMAOACNR1DRD1
SCHEMBL12704780 0.79 TTR (0.60) TTRALBMAOACNR1DRD1
SCHEMBL12704758 0.79 TTR (0.60) TTRALBMAOACNR1DRD1
SCHEMBL20897632 0.78 TTR (0.78) TTRALBMAOACNR1DRD1
SCHEMBL1675377 0.77 TTR (0.68) TTRALBMAOACNR1DRD1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2074089-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2009-07-01 EP claimed
WO-2008048991-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2008-04-24 WO claimed
US-8338459-B2 Compounds, compositions and methods for stabilizing transthyretin and inhibiting transthyretin misfolding FOLDRX PHARMACEUTICALS, INC. (US) 2012-12-25 US disclosed
US-8338459-B2 Compounds, compositions and methods for stabilizing transthyretin and inhibiting transthyretin misfolding FOLDRX PHARMACEUTICALS, INC. (US) 2012-12-25 US disclosed
EP-2314584-A1 2-(heteroaryl)-benzoxazole compounds and derivatives, compositions and methods for stabilizing transthyretin and inhibiting transthyretin misfolding Foldrx Pharmaceuticals, Inc. (US) 2011-04-27 EP disclosed
US-20110092545-A1 Compounds, Compositions and Methods for Stabilizing Transthyretin and Inhibiting Transthyretin Misfolding FoldRx Pharmaceuticals, Inc., a Massachusetts corporation 2011-04-21 US disclosed
US-20110092545-A1 Compounds, Compositions and Methods for Stabilizing Transthyretin and Inhibiting Transthyretin Misfolding FoldRx Pharmaceuticals, Inc., a Massachusetts corporation 2011-04-21 US disclosed
US-7868033-B2 Compounds, compositions and methods for stabilizing transthyretin and inhibiting transthyretin misfolding FOLDRX PHARMACEUTICALS, INC. (US) 2011-01-11 US disclosed
US-7868033-B2 Compounds, compositions and methods for stabilizing transthyretin and inhibiting transthyretin misfolding FOLDRX PHARMACEUTICALS, INC. (US) 2011-01-11 US disclosed
EP-2074089-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2009-07-01 EP disclosed
WO-2008048991-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2008-04-24 WO 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-20110092545-A1 Compounds, Compositions and Methods for Stabilizing Transthyretin and Inhibiting Transthyretin Misfolding TTR, ALB, TTPA TTR 1/4885ALB 2/4885MAOA 1607/4885

“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.