SCHEMBL3318993

SCHEMBL3318993

O=[N+]([O-])c1ccc(NC2Cc3ccccc3C2)nc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.56
MAPT P10636 5/20 0.55
MEN1 O00255 5/20 0.55
KMT2A Q03164 5/20 0.55
LMNA P02545 1/20 0.55
CYP1A2 P05177 1/20 0.51
GAA P10253 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
POLB P06746 1/20 0.51
RAB9A P51151 2/20 0.48
ALDH1A1 P00352 1/20 0.48
PKM P14618 1/20 0.47
ALOX12 P18054 1/20 0.46
NPC1 O15118 1/20 0.45
CCR6 P51684 1/20 0.44

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
SCHEMBL2793284 0.83 GAA (0.58) HDAC8MAPTMEN1KMT2ALMNA
SCHEMBL25086292 0.82 PRKCQ (0.50) HDAC8MAPTMEN1KMT2ALMNA
SCHEMBL2789608 0.81 LMNA (0.59) HDAC8MAPTMEN1KMT2ALMNA
SCHEMBL2789965 0.81 MAPT (0.55) HDAC8MAPTMEN1KMT2ALMNA
SCHEMBL21464112 0.79 GAA (0.57) HDAC8MAPTMEN1KMT2ALMNA
SCHEMBL4066108 0.79 LMNA (0.58) HDAC8MAPTMEN1KMT2ALMNA
SCHEMBL1473102 0.79 LMNA (0.58) HDAC8MAPTMEN1KMT2ALMNA
SCHEMBL26675754 0.78 GAA (0.56) HDAC8MAPTMEN1KMT2ALMNA
SCHEMBL30716719 0.78 GAA (0.56) HDAC8MAPTMEN1KMT2ALMNA
SCHEMBL26675757 0.78 GAA (0.56) HDAC8MAPTMEN1KMT2ALMNA

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 44 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-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-20180105524-A1 NOVEL ANXIOLYTIC COMPOUNDS BIONOMICS LIMITED (AU) 2018-04-19 US 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-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
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 HDAC8 971/4885MAPT 1400/4885MEN1 2882/4885
US-10233181-B2 Anxiolytic compounds GABBR1, GABRA6, SLC18A2 HDAC8 1341/4885MAPT 1130/4885MEN1 1529/4885
US-20100105678-A1 NOVEL ANXIOLYTIC COMPOUNDS SLC18A2, CNR1, OPRK1 HDAC8 1062/4885MAPT 1438/4885MEN1 2584/4885
US-20180105524-A1 NOVEL ANXIOLYTIC COMPOUNDS SLC18A2, CNR1, OPRK1 HDAC8 1062/4885MAPT 1438/4885MEN1 2584/4885
US-10954231-B2 Anxiolytic compounds GABRA6, GABRA2, GABRA5 HDAC8 1066/4885MAPT 929/4885MEN1 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.