SCHEMBL3569980

SCHEMBL3569980

[CH2]CNc1ccc([N+](=O)[O-])cn1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.63
POLB P06746 1/20 0.63
MAPT P10636 6/20 0.60
RAB9A P51151 6/20 0.60
NPC1 O15118 5/20 0.60
GAA P10253 3/20 0.60
ALDH1A1 P00352 2/20 0.60
KMT2A Q03164 8/20 0.56
MEN1 O00255 7/20 0.56
LMNA P02545 2/20 0.56
HTT P42858 1/20 0.56
CYP1A2 P05177 1/20 0.55
ALOX12 P18054 1/20 0.53
DPP4 P27487 1/20 0.50

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
SCHEMBL9143702 0.83 SMN1; SMN2 (0.63) SMN1; SMN2POLBMAPTRAB9ANPC1
SCHEMBL5151678 0.83 GAA (0.64) SMN1; SMN2POLBMAPTRAB9ANPC1
SCHEMBL8898674 0.82 SMN1; SMN2 (0.58) SMN1; SMN2POLBMAPTRAB9ANPC1
SCHEMBL30014816 0.80 SMN1; SMN2 (0.60) SMN1; SMN2POLBMAPTRAB9ANPC1
SCHEMBL13233272 0.80 KMT2A (0.64) SMN1; SMN2POLBMAPTRAB9ANPC1
SCHEMBL5100760 0.80 SMN1; SMN2 (0.60) SMN1; SMN2POLBMAPTRAB9ANPC1
SCHEMBL7363076 0.80 SMN1; SMN2 (0.60) SMN1; SMN2POLBMAPTRAB9ANPC1
SCHEMBL1146057 0.80 SMN1; SMN2 (0.60) SMN1; SMN2POLBMAPTRAB9ANPC1
SCHEMBL5650522 0.80 SMN1; SMN2 (0.60) SMN1; SMN2POLBMAPTRAB9ANPC1
SCHEMBL6162165 0.80 SMN1; SMN2 (0.60) SMN1; SMN2POLBMAPTRAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6784293-B1 SOLUTION AND SOLID-PHASE SYNTHESIS OF BOC-PROTECTED 3-AMINOHYDANTOINS/THIOHYDANTOINS AND 3-AMINODIHYDROURACILS/ DIHYDROTHIOURACILS THE PROCTER & GAMBLE COMPANY 2004-08-31 US claimed
EP-0937040-B1 N-SUBSTITUTED 2-CYANOPYRROLIDINES NOVARTIS AG (CH) 2004-07-21 EP claimed
EP-0937040-A2 N-SUBSTITUTED 2-CYANOPYRROLIDINES Novartis AG (CH) 1999-08-25 EP claimed
WO-1998019998-A2 N-SUBSTITUTED 2-CYANOPYRROLIDINES NOVARTIS AG (CH) 1998-05-14 WO claimed
US-7671072-B2 Aminopyrazole derivatives as GSK-3 inhibitors PFIZER INC. (US) 2010-03-02 US disclosed
CN-100506801-C Inhibitors of glycogen synthase kinase 3 CHIRON CORP (US) 2009-07-01 CN disclosed
US-7547702-B2 4-amino-quinazolines ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2009-06-16 US disclosed
EP-1653970-A4 GSK-3 INHIBITORS AND USES THEREOF NOVARTIS VACCINES & DIAGNOSTIC (US) 2008-10-15 EP disclosed
US-20070276010-A1 Aminopyrazole Derivatives as Gsk-3 Inhibitors BENBOW JOHN W 2007-11-29 US disclosed
EP-1653970-A2 GSK-3 INHIBITORS AND USES THEREOF CHIRON CORPORATION (US) 2006-05-10 EP disclosed
US-20060019974-A1 Glycoprotein antagonist; anticholesterol agents; cardiovascular disorders; strokes; antiischemic agents ORTHO-MCNEIL PHARMACEUTICALS, INC. 2006-01-26 US disclosed
WO-2005039485-A2 GSK-3 INHIBITORS AND USES THEREOF CHIRON CORPORATION (US) 2005-05-06 WO disclosed
WO-2002016318-A1 NOVEL THIOUREA DERIVATIVES AND THE PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME PACIFIC CORPORATION (KR) 2002-02-28 WO disclosed
CN-1312807-A Inhibitors of glycogen synthase kinase 3 CHIRON CORP (US) 2001-09-12 CN disclosed
WO-2001027087-A2 PROCESS FOR MAKING BOC-PROTECTED 3-AMINOHYDANTOINS/THIOHYDANTOINS AND 3-AMINODIHYDROURACILS/DIHYDROTHIOURACILS THE PROCTER & GAMBLE COMPANY (US) 2001-04-19 WO disclosed
EP-1087963-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 Chiron Corporation (US) 2001-04-04 EP disclosed
WO-1999065897-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 1999-12-23 WO disclosed
CN-1236361-A N-substituted 2-cyanopyrrolidines NOVARTIS AG (CH) 1999-11-24 CN disclosed
EP-0937040-A2 N-SUBSTITUTED 2-CYANOPYRROLIDINES Novartis AG (CH) 1999-08-25 EP disclosed
WO-1998019998-A2 N-SUBSTITUTED 2-CYANOPYRROLIDINES NOVARTIS AG (CH) 1998-05-14 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 (2 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-20070276010-A1 Aminopyrazole Derivatives as Gsk-3 Inhibitors GSK3B, GSK3A, GSKIP SMN1; SMN2 3262/4885POLB 866/4885MAPT 158/4885
US-20060019974-A1 Glycoprotein antagonist; anticholesterol agents; cardiovascular disorders; strokes; antiischemic agents SERPINA3, APOL1, MGAT3 SMN1; SMN2 4194/4885POLB 4723/4885MAPT 4410/4885

“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.