SCHEMBL3318976

SCHEMBL3318976

CCOC(=O)c1cn(CC)c2ncc([N+](=O)[O-])cc2c1=O

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.56
MAPT P10636 5/20 0.55
KMT2A Q03164 2/20 0.48
LMNA P02545 4/20 0.48
NPC1 O15118 2/20 0.46
ALDH1A1 P00352 5/20 0.46
MAPK1 P28482 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
TSHR P16473 2/20 0.44
RXFP1 Q9HBX9 1/20 0.43

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
SCHEMBL27952590 0.86 LMNA (0.50) POLBMAPTKMT2ALMNAALDH1A1
SCHEMBL3318354 0.83 LMNA (0.53) POLBMAPTKMT2ALMNANPC1
SCHEMBL5468538 0.82 ALDH1A1 (0.53) POLBMAPTKMT2ALMNANPC1
SCHEMBL3979515 0.82 LMNA (0.52) POLBMAPTKMT2ALMNANPC1
SCHEMBL3696586 0.82 LMNA (0.64) POLBMAPTKMT2ALMNANPC1
SCHEMBL20521839 0.80 LMNA (0.50) POLBMAPTKMT2ALMNANPC1
SCHEMBL15671912 0.80 LMNA (0.50) POLBMAPTKMT2ALMNANPC1
SCHEMBL29705211 0.80 LMNA (0.50) POLBMAPTKMT2ALMNANPC1
SCHEMBL15671945 0.80 LMNA (0.50) POLBMAPTKMT2ALMNANPC1
SCHEMBL11283967 0.79 POLB (0.62) POLBMAPTKMT2ALMNANPC1

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 66 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
EP-2707367-B1 METHODS FOR PREPARING NAPHTHYRIDINES BIONOMICS LTD (AU) 2019-10-09 EP disclosed
EP-2707367-B1 METHODS FOR PREPARING NAPHTHYRIDINES BIONOMICS LTD (AU) 2019-10-09 EP disclosed
WO-2019109150-A1 METHODS OF TREATING AGITATION BIONOMICS LIMITED (AU) 2019-06-13 WO 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
EP-2074123-B1 NOVEL ANXIOLYTIC COMPOUNDS BIONOMICS LTD (AU) 2012-12-05 EP disclosed
EP-2074123-B1 NOVEL ANXIOLYTIC COMPOUNDS BIONOMICS LTD (AU) 2012-12-05 EP disclosed
WO-2012151640-A1 METHODS FOR PREPARING NAPHTHYRIDINES BIONOMICS LIMITED (AU) 2012-11-15 WO disclosed
WO-2012151640-A1 METHODS FOR PREPARING NAPHTHYRIDINES BIONOMICS LIMITED (AU) 2012-11-15 WO 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 (3 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-10233181-B2 Anxiolytic compounds GABBR1, GABRA6, SLC18A2 POLB 3948/4885MAPT 1130/4885KMT2A 2335/4885
US-20100105678-A1 NOVEL ANXIOLYTIC COMPOUNDS SLC18A2, CNR1, OPRK1 POLB 4582/4885MAPT 1438/4885KMT2A 2188/4885
US-10954231-B2 Anxiolytic compounds GABRA6, GABRA2, GABRA5 POLB 3815/4885MAPT 929/4885KMT2A 2094/4885

“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.