SCHEMBL1013853

SCHEMBL1013853

CC(=O)Nc1nc2c([N+](=O)[O-])cccc2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.54
SMN1; SMN2 Q16637 7/20 0.53
RAB9A P51151 5/20 0.53
NPC1 O15118 5/20 0.52
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
POLB P06746 1/20 0.50
PKN1 Q16512 1/20 0.50
PKN2 Q16513 1/20 0.50
IRAK4 Q9NWZ3 4/20 0.46
MAPT P10636 4/20 0.46
ADORA3 P0DMS8 1/20 0.45
MGAM O43451 1/20 0.45
GAA P10253 1/20 0.45
SI P14410 1/20 0.45
MGAM2 Q2M2H8 1/20 0.45
MCL1 Q07820 1/20 0.44
ALDH1A1 P00352 2/20 0.44
MAOB P27338 2/20 0.43
ADORA2A P29274 2/20 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
SCHEMBL6118547 0.83 MAOB (0.65) SMN1; SMN2RAB9ANPC1KMT2AMEN1
SCHEMBL8601355 0.83 PKN1 (0.55) LMNASMN1; SMN2RAB9ANPC1KMT2A
SCHEMBL7478521 0.83 SMN1; SMN2 (0.47) SMN1; SMN2RAB9ANPC1KMT2AMEN1
SCHEMBL11020624 0.83 PKN1 (0.49) SMN1; SMN2RAB9ANPC1KMT2AMEN1
SCHEMBL24373105 0.79 IRAK4 (0.72) SMN1; SMN2RAB9ANPC1KMT2AMEN1
SCHEMBL8277810 0.79 PKN1 (0.53) SMN1; SMN2RAB9ANPC1KMT2AMEN1
SCHEMBL18106900 0.78 SMN1; SMN2 (0.48) SMN1; SMN2RAB9ANPC1KMT2AMEN1
SCHEMBL7486053 0.78 PKN1 (0.50) LMNASMN1; SMN2RAB9ANPC1KMT2A
SCHEMBL7954749 0.77 PKN1 (0.49) SMN1; SMN2RAB9ANPC1KMT2AMEN1
SCHEMBL7954751 0.77 PKN1 (0.49) SMN1; SMN2RAB9ANPC1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050250776-A1 Inhibitors of 11-beta-hydroxy steriod dehydrogenase type 1 BIOVITRUM AB 2005-11-10 US claimed
US-20120129811-A1 TRICYCLIC INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA N.V. (BE) 2012-05-24 US disclosed
US-20120129811-A1 TRICYCLIC INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA N.V. (BE) 2012-05-24 US disclosed
WO-2012068211-A1 TRICYCLIC INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA NV (BE) 2012-05-24 WO disclosed
US-20120129811-A1 TRICYCLIC INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA N.V. (BE) 2012-05-24 US disclosed
EP-1542692-B1 AMINOPYRIMIDINE DERIVATIVES FOR USE AS VANILLOID RECEPTOR LIGANDS FOR THE TREATMENT OF PAIN AMGEN INC (US) 2011-01-05 EP disclosed
US-7524874-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2009-04-28 US disclosed
US-7524874-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2009-04-28 US disclosed
US-7524874-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2009-04-28 US disclosed
US-7396831-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2008-07-08 US disclosed
US-7396831-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2008-07-08 US disclosed
US-7396831-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2008-07-08 US disclosed
US-7053088-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2006-05-30 US disclosed
US-20050277646-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2005-12-15 US disclosed
US-20050267163-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2005-12-01 US disclosed
EP-1542692-A1 AMINO-PYRIDINE, -PYRIDINE AND PYRIDAZINE DERIVATIVES FOR USE AS VANILLOID RECEPTOR LIGANDS FOR THE TREATMENT OF PAIN Amgen Inc. (US) 2005-06-22 EP disclosed
US-20040038969-A1 Vanilloid receptor ligands and their use in treatments AMGEN, INC. 2004-02-26 US disclosed
WO-2003099284-A1 AMINO-PYRIDINE, -PYRIDINE AND PYRIDAZINE DERIVATIVES FOR USE AS VANILLOID RECEPTOR LIGANDS FOR THE TREATMENT OF PAIN AMGEN INC. (US) 2003-12-04 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-20050250776-A1 Inhibitors of 11-beta-hydroxy steriod dehydrogenase type 1 HSD11B1, HSD17B1, HSD17B11 LMNA 3562/4885SMN1; SMN2 3879/4885RAB9A 2648/4885
US-20040038969-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 LMNA 3814/4885SMN1; SMN2 2292/4885RAB9A 1543/4885
US-20050267163-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 LMNA 3886/4885SMN1; SMN2 2515/4885RAB9A 1356/4885
US-20050277646-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 LMNA 3886/4885SMN1; SMN2 2515/4885RAB9A 1356/4885
US-20120129811-A1 TRICYCLIC INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION MMP1, MMP3, MMP13 LMNA 203/4885SMN1; SMN2 4380/4885RAB9A 2419/4885

“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.