Sugi Predict

Sugi Predict / Compounds / SCHEMBL8202831

SCHEMBL8202831

SCHEMBL8202831

CCN/C=C(\C(=O)OCC)C(=O)c1cc(Cl)ncc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 4/20 0.44
▸ ALDH1A1 P00352 3/20 0.40
▸ CYP2D6 P10635 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ MAPT P10636 5/20 0.39
▸ GAA P10253 4/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ KDM4E B2RXH2 3/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ HPGD P15428 2/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ NPY1R P25929 1/20 0.37
▸ NPY2R P49146 1/20 0.37
▸ DHODH Q02127 3/20 0.36
▸ LMNA P02545 1/20 0.36
▸ RECQL P46063 1/20 0.36

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
SCHEMBL3289338 0.86 NPSR1 (0.43) NPSR1ALDH1A1CYP2D6SMN1; SMN2MAPT
SCHEMBL14552703 0.83 NPSR1 (0.31) NPSR1LMNA
SCHEMBL8200819 0.82 NPSR1 (0.41) NPSR1ALDH1A1CYP2D6SMN1; SMN2MAPT
SCHEMBL4161766 0.81 NPSR1 (0.40) NPSR1ALDH1A1CYP2D6MAPTGAA
SCHEMBL3289092 0.81 NPSR1 (0.40) NPSR1ALDH1A1CYP2D6MAPTGAA
SCHEMBL3289090 0.81 NPSR1 (0.40) NPSR1ALDH1A1CYP2D6MAPTGAA
SCHEMBL7850181 0.81 NPSR1 (0.45) NPSR1ALDH1A1CYP2D6SMN1; SMN2MAPT
SCHEMBL1300763 0.81 NPSR1 (0.39) NPSR1ALDH1A1CYP2D6MAPTGAA
SCHEMBL1300760 0.81 NPSR1 (0.39) NPSR1ALDH1A1CYP2D6MAPTGAA
SCHEMBL29060584 0.79 SMN1; SMN2 (0.41) NPSR1ALDH1A1CYP2D6SMN1; SMN2MAPT

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10954231-B2 Anxiolytic compounds BIONOMICS LIMITED (AU) 2021-03-23 — — US disclosed
US-10233181-B2 Anxiolytic compounds BIONOMICS LIMITED (AU) 2019-03-19 — — US disclosed
US-9975892-B2 Anxiolytic compounds BIONOMICS LIMITED (AU) 2018-05-22 — — US disclosed
US-9975892-B2 Anxiolytic compounds BIONOMICS LIMITED (AU) 2018-05-22 — — US disclosed
US-20180105524-A1 NOVEL ANXIOLYTIC COMPOUNDS BIONOMICS LIMITED (AU) 2018-04-19 — — US disclosed
US-20180105523-A1 NOVEL ANXIOLYTIC COMPOUNDS BIONOMICS LIMITED (AU) 2018-04-19 — — US disclosed
US-20180105524-A1 NOVEL ANXIOLYTIC COMPOUNDS BIONOMICS LIMITED (AU) 2018-04-19 — — US disclosed
US-20180105523-A1 NOVEL ANXIOLYTIC COMPOUNDS BIONOMICS LIMITED (AU) 2018-04-19 — — US disclosed
US-20170183347-A1 NOVEL ANXIOLYTIC COMPOUNDS BIONOMICS LIMITED (AU) 2017-06-29 — — US disclosed
US-20170183347-A1 NOVEL ANXIOLYTIC COMPOUNDS BIONOMICS LIMITED (AU) 2017-06-29 — — US disclosed
US-20130012509-A1 NOVEL ANXIOLYTIC COMPOUNDS BIONOMICS LIMITED (AU) 2013-01-10 — — US disclosed
US-20130012509-A1 NOVEL ANXIOLYTIC COMPOUNDS BIONOMICS LIMITED (AU) 2013-01-10 — — US disclosed
EP-2540722-A1 Novel anxiolytic compounds Bionomics Limited (AU) 2013-01-02 — — EP disclosed
EP-2074123-B1 NOVEL ANXIOLYTIC COMPOUNDS BIONOMICS LTD (AU) 2012-12-05 — — EP disclosed
US-8293737-B2 Anxiolytic compounds BIONOMICS LIMITED (AU) 2012-10-23 — — US disclosed
US-8293737-B2 Anxiolytic compounds BIONOMICS LIMITED (AU) 2012-10-23 — — US disclosed
WO-2012116410-A1 METHODS OF TREATING A DISEASE OR CONDITION OF THE CENTRAL NERVOUS SYSTEM BIONOMICS LIMITED (AU) 2012-09-07 — — WO disclosed
US-20100105678-A1 NOVEL ANXIOLYTIC COMPOUNDS BIONOMICS LIMITED (AU) 2010-04-29 — — US disclosed
US-20100105678-A1 NOVEL ANXIOLYTIC COMPOUNDS BIONOMICS LIMITED (AU) 2010-04-29 — — US disclosed
WO-2008046135-A1 NOVEL ANXIOLYTIC COMPOUNDS BIONOMICS LIMITED (AU) 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 (7 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-20180105523-A1 NOVEL ANXIOLYTIC COMPOUNDS SLC18A2, CNR1, OPRK1 NPSR1 8/4885ALDH1A1 247/4885CYP2D6 321/4885
US-20170183347-A1 NOVEL ANXIOLYTIC COMPOUNDS SLC18A2, CNR1, OPRK1 NPSR1 4/4885ALDH1A1 270/4885CYP2D6 348/4885
US-10233181-B2 Anxiolytic compounds GABBR1, GABRA6, SLC18A2 NPSR1 7/4885ALDH1A1 190/4885CYP2D6 204/4885
US-20100105678-A1 NOVEL ANXIOLYTIC COMPOUNDS SLC18A2, CNR1, OPRK1 NPSR1 4/4885ALDH1A1 270/4885CYP2D6 348/4885
US-20180105524-A1 NOVEL ANXIOLYTIC COMPOUNDS SLC18A2, CNR1, OPRK1 NPSR1 4/4885ALDH1A1 270/4885CYP2D6 348/4885
US-20130012509-A1 NOVEL ANXIOLYTIC COMPOUNDS SLC18A2, CNR1, OPRK1 NPSR1 4/4885ALDH1A1 270/4885CYP2D6 348/4885
US-10954231-B2 Anxiolytic compounds GABRA6, GABRA2, GABRA5 NPSR1 11/4885ALDH1A1 195/4885CYP2D6 191/4885

“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.