SCHEMBL3317458

SCHEMBL3317458

CCOC(=O)c1cn(CC)c2cnc(Cl)cc2c1=O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.61
POLB P06746 2/20 0.60
MAPT P10636 3/20 0.52
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
THRB P10828 1/20 0.52
ALDH1A1 P00352 6/20 0.51
HPGD P15428 4/20 0.51
KDM4E B2RXH2 4/20 0.51
HSD17B10 Q99714 3/20 0.51
TDP1 Q9NUW8 1/20 0.48
P2RX3 P56373 1/20 0.46
CYP1A2 P05177 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
RXFP1 Q9HBX9 1/20 0.43
TSHR P16473 1/20 0.43
RAB9A P51151 1/20 0.43
NPC1 O15118 1/20 0.42
BAZ2B Q9UIF8 1/20 0.42

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
SCHEMBL11711597 0.92 POLB (0.61) LMNAPOLBMAPTKMT2AMEN1
SCHEMBL5962221 0.86 LMNA (0.67) LMNAPOLBMAPTKMT2AMEN1
SCHEMBL20241012 0.85 KDM4E (0.55) LMNAPOLBMAPTKMT2AMEN1
SCHEMBL3291404 0.84 POLB (0.45) LMNAPOLBMAPTKMT2AMEN1
SCHEMBL21859008 0.81 LMNA (0.54) LMNAPOLBMAPTKMT2AMEN1
SCHEMBL1301511 0.79 POLB (0.42) LMNAPOLBMAPTKMT2AMEN1
SCHEMBL8041564 0.79 POLB (0.69) LMNAPOLBMAPTKMT2AMEN1
SCHEMBL29823822 0.79 POLB (0.69) LMNAPOLBMAPTKMT2AMEN1
SCHEMBL11393030 0.79 POLB (0.69) LMNAPOLBMAPTKMT2AMEN1
SCHEMBL30906934 0.78 LMNA (0.63) LMNAPOLBMAPTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210355124-A1 Cyclic compounds as receptor modulating therapeutics and methods and uses thereof BIONOMICS LIMITED (AU) 2021-11-18 US disclosed
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
WO-2018102885-A1 MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS AND USES THEREOF BIONOMICS LIMITED (AU) 2018-06-14 WO 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-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
US-20090062218-A1 MACROLONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-03-05 US 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
EP-1824871-A1 MACROLONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-08-29 EP disclosed
WO-2006050940-A1 MACROLONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2006-05-18 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 (6 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-20210355124-A1 Cyclic compounds as receptor modulating therapeutics and methods and uses thereof CHRNA7, CHRNA1, CHRNA5 LMNA 2733/4885POLB 2580/4885MAPT 2554/4885
US-20090062218-A1 MACROLONE COMPOUNDS CYP51A1, MRPL21, MYD88 LMNA 1055/4885POLB 1357/4885MAPT 3397/4885
US-10233181-B2 Anxiolytic compounds GABBR1, GABRA6, SLC18A2 LMNA 2761/4885POLB 3948/4885MAPT 1130/4885
US-20100105678-A1 NOVEL ANXIOLYTIC COMPOUNDS SLC18A2, CNR1, OPRK1 LMNA 4043/4885POLB 4582/4885MAPT 1438/4885
US-20180105524-A1 NOVEL ANXIOLYTIC COMPOUNDS SLC18A2, CNR1, OPRK1 LMNA 4043/4885POLB 4582/4885MAPT 1438/4885
US-10954231-B2 Anxiolytic compounds GABRA6, GABRA2, GABRA5 LMNA 2879/4885POLB 3815/4885MAPT 929/4885

“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.