Sugi Predict

Sugi Predict / Compounds / SCHEMBL8200819

SCHEMBL8200819

SCHEMBL8200819

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 6/20 0.41
▸ ALDH1A1 P00352 4/20 0.38
▸ HPGD P15428 2/20 0.37
▸ MEN1 O00255 4/20 0.35
▸ KMT2A Q03164 4/20 0.35
▸ MAPT P10636 7/20 0.35
▸ GAA P10253 1/20 0.35
▸ LMNA P02545 4/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ MAPK1 P28482 3/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ XBP1 P17861 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ TLR9 Q9NR96 1/20 0.34
▸ DGAT1 O75907 1/20 0.34
▸ TSHR P16473 1/20 0.34

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
SCHEMBL4161766 0.84 NPSR1 (0.40) NPSR1ALDH1A1HPGDMEN1KMT2A
SCHEMBL3289092 0.84 NPSR1 (0.40) NPSR1ALDH1A1HPGDMEN1KMT2A
SCHEMBL3289090 0.84 NPSR1 (0.40) NPSR1ALDH1A1HPGDMEN1KMT2A
SCHEMBL8202831 0.82 NPSR1 (0.44) NPSR1ALDH1A1HPGDMEN1KMT2A
SCHEMBL3289338 0.81 NPSR1 (0.43) NPSR1ALDH1A1HPGDMEN1KMT2A
SCHEMBL7849855 0.81 NPSR1 (0.41) NPSR1ALDH1A1HPGDMEN1KMT2A
SCHEMBL8693545 0.81 NPSR1 (0.41) NPSR1ALDH1A1HPGDMEN1KMT2A
SCHEMBL14581587 0.80 DGAT1 (0.52) NPSR1ALDH1A1MEN1KMT2AMAPT
SCHEMBL263121 0.79 CYP1A2 (0.41) NPSR1HPGDMEN1KMT2AMAPT
SCHEMBL263120 0.79 CYP1A2 (0.41) NPSR1HPGDMEN1KMT2AMAPT

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 34 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-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-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-20130012508-A1 NOVEL ANXIOLYTIC COMPOUNDS BIONOMICS LIMITED (AU) 2013-01-10 — — US disclosed
US-20130012508-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
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 (8 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 247/4885HPGD 367/4885
US-20170183347-A1 NOVEL ANXIOLYTIC COMPOUNDS SLC18A2, CNR1, OPRK1 NPSR1 4/4885ALDH1A1 270/4885HPGD 393/4885
US-20130012508-A1 NOVEL ANXIOLYTIC COMPOUNDS SLC18A2, CNR1, OPRK1 NPSR1 4/4885ALDH1A1 270/4885HPGD 393/4885
US-10233181-B2 Anxiolytic compounds GABBR1, GABRA6, SLC18A2 NPSR1 7/4885ALDH1A1 190/4885HPGD 280/4885
US-20100105678-A1 NOVEL ANXIOLYTIC COMPOUNDS SLC18A2, CNR1, OPRK1 NPSR1 4/4885ALDH1A1 270/4885HPGD 393/4885
US-20180105524-A1 NOVEL ANXIOLYTIC COMPOUNDS SLC18A2, CNR1, OPRK1 NPSR1 4/4885ALDH1A1 270/4885HPGD 393/4885
US-20130012509-A1 NOVEL ANXIOLYTIC COMPOUNDS SLC18A2, CNR1, OPRK1 NPSR1 4/4885ALDH1A1 270/4885HPGD 393/4885
US-10954231-B2 Anxiolytic compounds GABRA6, GABRA2, GABRA5 NPSR1 11/4885ALDH1A1 195/4885HPGD 279/4885

“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.