SCHEMBL1734935

SCHEMBL1734935

O=C(Nc1cccnn1)C1CCCN1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCN3A Q9NY46 3/20 0.46
SCN9A Q15858 3/20 0.46
GSK3B P49841 3/20 0.43
DYRK1A Q13627 3/20 0.43
WNT1 P04628 2/20 0.43
PSMB8 P28062 2/20 0.42
ITGB3 P05106 1/20 0.41
ITGAV P06756 1/20 0.41
ITGA2B P08514 1/20 0.41
FPR2 P25090 1/20 0.41
ULK1 O75385 1/20 0.41
CTSC P53634 1/20 0.40
ROCK2 O75116 2/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
HPGD P15428 1/20 0.40
KHK P50053 1/20 0.39
SCN5A Q14524 1/20 0.39

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
SCHEMBL12230388 1.00 SCN3A (0.46) SCN3ASCN9AGSK3BDYRK1AWNT1
SCHEMBL5754037 0.82 NPC1 (0.50) SCN3ASCN9AGSK3BDYRK1AWNT1
SCHEMBL3331893 0.82 NPC1 (0.50) SCN3ASCN9AGSK3BDYRK1AWNT1
SCHEMBL30052306 0.77 HPGD (0.49) SCN3ASCN9AGSK3BDYRK1AWNT1
SCHEMBL18555420 0.77 RAB9A (0.53) SCN9AGSK3BDYRK1AWNT1HPGD
SCHEMBL23885369 0.77 HPGD (0.49) SCN3ASCN9AGSK3BDYRK1AWNT1
SCHEMBL15607640 0.77 HPGD (0.49) SCN3ASCN9AGSK3BDYRK1AWNT1
SCHEMBL12348732 0.77 RAB9A (0.53) SCN9AGSK3BDYRK1AWNT1HPGD
SCHEMBL15129358 0.76 SCN3A (0.48) SCN3ASCN9AGSK3BDYRK1AWNT1
Hydrochloric Acid SCHEMBL18554952 0.76 HPGD (0.48) SCN3ASCN9AGSK3BDYRK1AWNT1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1896452-B1 N-FORMYL HYDROXYLAMINE COMPOUNDS NOVARTIS AG (CH) 2011-11-16 EP disclosed
US-8044199-B2 N-formyl hydroxylamines compounds VICURON HOLDINGS LLC (US) 2011-10-25 US disclosed
US-20100063278-A1 N-Formyl Hydroxylamines compounds NOVARTIS AG (CH) 2010-03-11 US disclosed
US-7615635-B2 N-formyl hydroxylamines NOVARTIS AG (CH) 2009-11-10 US disclosed
US-20090062537-A1 N-Formyl Hydrozyamine Compounds LEE KWANGHO 2009-03-05 US disclosed
EP-1994027-A2 N-FORMYL HYDROXYLAMINE COMPOUNDS Novartis AG (CH) 2008-11-26 EP disclosed
US-20080161558-A1 1-[2-Cyclopentylmethyl-3-(formyl-hydroxy-amino)-propionyl]-pyrrolidine-2-carboxylic acid (5-fluoro-1-oxy-pyridin-2-yl)-amide; inhibitors of peptidyl deformylase (PDF), antimicrobials and antibiotics VICURON HOLDINGS LLC 2008-07-03 US disclosed
EP-1896452-A2 N-FORMYL HYDROXYLAMINE COMPOUNDS Novartis Pharma AG. (CH) 2008-03-12 EP disclosed
WO-2007106670-A2 N-FORMYL HYDROXYLAMINE COMPOUNDS NOVARTIS AG (CH) 2007-09-20 WO disclosed
WO-2006127576-A2 N - FORMYL HYDROXYLAMINE COMPOUNDS AS PDF INHIBITORS NOVARTIS AG (CH) 2006-11-30 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-20100063278-A1 N-Formyl Hydroxylamines compounds PDF, MMP2, HNMT SCN3A 4217/4885SCN9A 4288/4885GSK3B 4629/4885
US-20090062537-A1 N-Formyl Hydrozyamine Compounds PDF, HNMT, MMP2 SCN3A 3414/4885SCN9A 3577/4885GSK3B 4574/4885
US-20080161558-A1 1-[2-Cyclopentylmethyl-3-(formyl-hydroxy-amino)-propionyl]-pyrrolidine-2-carboxylic acid (5-fluoro-1-oxy-pyridin-2-yl)-amide; inhibitors of peptidyl deformylase (PDF), antimicrobials and antibiotics PDF, MMP2, PEPD SCN3A 4630/4885SCN9A 4645/4885GSK3B 4653/4885

“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.