SCHEMBL3318405

SCHEMBL3318405

CCOC(=O)CC(=O)c1cc(Cl)ncc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 2/20 0.40
MGAM O43451 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
MIF P14174 1/20 0.40
NLRP3 Q96P20 1/20 0.40
RAB9A P51151 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPT P10636 4/20 0.38
NPSR1 Q6W5P4 2/20 0.38
HPGD P15428 1/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
XBP1 P17861 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL12479101 0.82 KDM4E (0.51) L3MBTL1KDM4EMEN1ALDH1A1KMT2A
SCHEMBL6134191 0.81 CYP4F2 (0.51) KDM4EMEN1ALDH1A1KMT2ATDP1
SCHEMBL31368185 0.81 CYP4F2 (0.51) KDM4EMEN1ALDH1A1KMT2ATDP1
SCHEMBL5158163 0.78 MGAM (0.41) L3MBTL1KDM4EMEN1ALDH1A1KMT2A
SCHEMBL7008919 0.77 MEN1 (0.44) L3MBTL1KDM4EMEN1ALDH1A1KMT2A
SCHEMBL8183324 0.77 MEN1 (0.44) KDM4EMEN1ALDH1A1KMT2AGAA
SCHEMBL23504356 0.76 ALDH1A1 (0.45) L3MBTL1KDM4EMEN1ALDH1A1KMT2A
SCHEMBL1241168 0.76 GAA (0.49) KDM4EMEN1ALDH1A1KMT2AGAA
SCHEMBL509740 0.76 SIRT6 (0.46) L3MBTL1KDM4EMEN1ALDH1A1KMT2A
SCHEMBL5775638 0.76 ERCC5 (0.58) KDM4EMEN1ALDH1A1KMT2AMIF

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 58 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-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-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-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-20180105523-A1 NOVEL ANXIOLYTIC COMPOUNDS BIONOMICS LIMITED (AU) 2018-04-19 US 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-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
US-20100105678-A1 NOVEL ANXIOLYTIC COMPOUNDS BIONOMICS LIMITED (AU) 2010-04-29 US disclosed
EP-2074123-A1 NOVEL ANXIOLYTIC COMPOUNDS Bionomics Limited (AU) 2009-07-01 EP disclosed
WO-2008046135-A1 NOVEL ANXIOLYTIC COMPOUNDS BIONOMICS LIMITED (AU) 2008-04-24 WO 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 (5 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 L3MBTL1 3936/4885KDM4E 3699/4885MEN1 2882/4885
US-10233181-B2 Anxiolytic compounds GABBR1, GABRA6, SLC18A2 L3MBTL1 3788/4885KDM4E 4137/4885MEN1 1529/4885
US-20100105678-A1 NOVEL ANXIOLYTIC COMPOUNDS SLC18A2, CNR1, OPRK1 L3MBTL1 3824/4885KDM4E 3807/4885MEN1 2584/4885
US-20180105524-A1 NOVEL ANXIOLYTIC COMPOUNDS SLC18A2, CNR1, OPRK1 L3MBTL1 3824/4885KDM4E 3807/4885MEN1 2584/4885
US-10954231-B2 Anxiolytic compounds GABRA6, GABRA2, GABRA5 L3MBTL1 3787/4885KDM4E 4052/4885MEN1 1817/4885

“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.