SCHEMBL2129607

SCHEMBL2129607

O=C(O)c1cccnc1Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.49
POLB P06746 1/20 0.49
KMT2A Q03164 7/20 0.44
MEN1 O00255 5/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 4/20 0.44
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 2/20 0.44
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 2/20 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
SCHEMBL258223 0.82 ALDH1A1 (0.55) L3MBTL1POLBSMN1; SMN2LMNAMAPT
SCHEMBL2129407 0.80 SMN1; SMN2 (0.59) L3MBTL1SMN1; SMN2LMNAMAPTKDM4E
SCHEMBL15738996 0.80 KMT2A (0.53) L3MBTL1KMT2ASMN1; SMN2LMNAMAPT
SCHEMBL7118948 0.78 MAPT (0.51) L3MBTL1POLBKMT2AMEN1SMN1; SMN2
SCHEMBL6842191 0.77 TSHR (0.64) POLBKMT2AMEN1SMN1; SMN2MAPT
SCHEMBL2478054 0.76 KDM4E (0.50) L3MBTL1KMT2AMEN1SMN1; SMN2LMNA
SCHEMBL8314979 0.76 SMN1; SMN2 (0.46) L3MBTL1SMN1; SMN2LMNAMAPTKDM4E
SCHEMBL2750299 0.76 KDM5A (0.51) L3MBTL1KMT2AMEN1SMN1; SMN2LMNA
SCHEMBL4906930 0.75 TDP1 (0.59) L3MBTL1POLBSMN1; SMN2LMNAMAPT
SCHEMBL4906925 0.75 TDP1 (0.59) L3MBTL1POLBSMN1; SMN2LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9278103-B2 Substituted 6-amino-nicotinamides as KCNQ2/3 modulators Grünenthal GmbH (DE) 2016-03-08 US disclosed
US-9168259-B2 Substituted 6-amino-nicotinamides as KCNQ2/3 modulators Grünenthal GmbH (DE) 2015-10-27 US disclosed
US-20140213569-A1 Substituted 6-amino-nicotinamides as KCNQ2/3 modulators GRUNENTHAL GMBH (DE) 2014-07-31 US disclosed
US-8552200-B2 Substituted 6-amino-nicotinamides as KCNQ2/3 modulators GRUENENTHAL GMBH (DE) 2013-10-08 US disclosed
US-20120258947-A1 SUBSTITUTED 6-AMINO-NICOTINAMIDES AS KCNQ2/3 MODULATORS GRUNENTHAL GMBH (DE) 2012-10-11 US disclosed
US-20120101079-A1 SUBSTITUTED 6-AMINO-NICOTINAMIDES AS KCNQ2/3 MODULATORS GRUNENTHAL GMBH (DE) 2012-04-26 US 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-20140213569-A1 Substituted 6-amino-nicotinamides as KCNQ2/3 modulators KCNQ2, KCNQ1, KCNQ3 L3MBTL1 3212/4885POLB 3986/4885KMT2A 403/4885
US-20120101079-A1 SUBSTITUTED 6-AMINO-NICOTINAMIDES AS KCNQ2/3 MODULATORS KCNQ2, KCNQ1, KCNQ3 L3MBTL1 3212/4885POLB 3986/4885KMT2A 403/4885
US-20120258947-A1 SUBSTITUTED 6-AMINO-NICOTINAMIDES AS KCNQ2/3 MODULATORS KCNQ2, KCNQ1, KCNQ3 L3MBTL1 3212/4885POLB 3986/4885KMT2A 403/4885

“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.