SCHEMBL353164

SCHEMBL353164

O=S(=O)(O)CCCNCCc1cccc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.55
SLC2A1 P11166 7/20 0.53
MTNR1A P48039 2/20 0.51
CA2 P00918 4/20 0.48
CA12 O43570 3/20 0.48
CA1 P00915 3/20 0.48
CA9 Q16790 3/20 0.48
CA4 P22748 2/20 0.48
CA3 P07451 1/20 0.48
CA6 P23280 1/20 0.48
CA5A P35218 1/20 0.48
CA7 P43166 1/20 0.48
CA14 Q9ULX7 1/20 0.48
CA5B Q9Y2D0 1/20 0.48
BCHE P06276 1/20 0.47
HPGD P15428 1/20 0.47

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
SCHEMBL5937268 0.85 NQO2 (0.51) NQO2MTNR1ACA2
SCHEMBL31359145 0.85 NQO2 (0.51) NQO2MTNR1ACA2
SCHEMBL11800503 0.83 NQO2 (0.50) NQO2MTNR1ACA2
SCHEMBL11788148 0.82 NQO2 (0.49) NQO2MTNR1ACA2
SCHEMBL31078221 0.81 NQO2 (0.54) NQO2MTNR1ACA2
SCHEMBL497025 0.81 NQO2 (0.54) NQO2MTNR1ACA2
SCHEMBL8794788 0.81 HPGD (0.64) NQO2MTNR1ACA2CA12CA1
Ammonia Solution, Strong SCHEMBL11668882 0.81 NQO2 (0.48) NQO2MTNR1ACA2
SCHEMBL16106841 0.80 MTNR1A (0.54) NQO2SLC2A1MTNR1ACA2CA12
SCHEMBL16106842 0.80 MTNR1A (0.54) NQO2SLC2A1MTNR1ACA2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140329746-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2014-11-06 US disclosed
US-8835654-B2 Method and compositions for treating amyloid-related diseases BHI LIMITED PARTNERSHIP (CA) 2014-09-16 US disclosed
US-20120015911-A1 METHOD AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES BELLUS HEALTH INC. (CA) 2012-01-19 US disclosed
US-8044100-B2 Methods and compositions for treating amyloid-related diseases BELLUS HEALTH INC. (CA) 2011-10-25 US disclosed
US-20060223855-A1 reduces or inhibits amyloid fibril formation, organ specific dysfunction (e.g., neurodegeneration), or cellular toxicity NEUROCHEM (INTERNATIONAL) LIMITED (CH) 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 (3 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-20060223855-A1 reduces or inhibits amyloid fibril formation, organ specific dysfunction (e.g., neurodegeneration), or cellular toxicity APP, IAPP, BACE1 NQO2 1597/4885SLC2A1 1646/4885MTNR1A 1921/4885
US-20140329746-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 NQO2 1947/4885SLC2A1 1749/4885MTNR1A 1393/4885
US-20120015911-A1 METHOD AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 NQO2 1887/4885SLC2A1 2253/4885MTNR1A 1573/4885

“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.