SCHEMBL963587

SCHEMBL963587

CCN(C)c1nc(Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 6/20 0.47
GSR P00390 3/20 0.47
MAPT P10636 5/20 0.44
MERTK Q12866 1/20 0.44
VCAM1 P19320 3/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 2/20 0.37
ALDH1A1 P00352 1/20 0.37
MAT2A P31153 1/20 0.37
PGK1 P00558 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL954711 0.85 TXNRD1 (0.48) TXNRD1GSRMAPTMERTKVCAM1
SCHEMBL937505 0.83 MERTK (0.49) TXNRD1GSRMAPTMERTKVCAM1
SCHEMBL29990867 0.83 MERTK (0.49) TXNRD1GSRMAPTMERTKVCAM1
SCHEMBL14444932 0.80 TXNRD1 (0.56) TXNRD1GSRMAPTHTTMAPK1
SCHEMBL1737668 0.79 TXNRD1 (0.41) TXNRD1GSRMAPTMERTKHTT
SCHEMBL27931558 0.79 CHRNB2 (0.40) TXNRD1GSRMAPTMERTKALDH1A1
SCHEMBL17285711 0.78 PIN1 (0.44) MAPTVCAM1
SCHEMBL28460738 0.78 MAPT (0.43) TXNRD1GSRMAPTMERTKVCAM1
SCHEMBL16470410 0.77 MAPT (0.44) TXNRD1GSRMAPTMERTKHTT
SCHEMBL10697671 0.76 MAPT (0.44) TXNRD1GSRMAPTMERTKHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110003867-A1 NOVEL 2-ETHYL-METHYL-AMINO-3-AMIDO-6-AMINO-PYRIDINE DERIVATIVES USEFUL AS POTASSIUM CHANNEL ACTIVATORS NEUROSEARCH A/S (DK) 2011-01-06 US disclosed
US-20110003867-A1 NOVEL 2-ETHYL-METHYL-AMINO-3-AMIDO-6-AMINO-PYRIDINE DERIVATIVES USEFUL AS POTASSIUM CHANNEL ACTIVATORS NEUROSEARCH A/S (DK) 2011-01-06 US disclosed
US-20110003867-A1 NOVEL 2-ETHYL-METHYL-AMINO-3-AMIDO-6-AMINO-PYRIDINE DERIVATIVES USEFUL AS POTASSIUM CHANNEL ACTIVATORS NEUROSEARCH A/S (DK) 2011-01-06 US disclosed
EP-2231609-A1 NOVEL 2-ETHYL-METHYL-AMINO-3-AMIDO-6-AMINO-PYRIDINE DERIVATIVES USEFUL AS POTASSIUM CHANNEL ACTIVATORS NeuroSearch A/S (DK) 2010-09-29 EP disclosed
WO-2009074594-A1 NOVEL 2-ETHYL-METHYL-AMINO-3-AMIDO-6-AMINO-PYRIDINE DERIVATIVES USEFUL AS POTASSIUM CHANNEL ACTIVATORS NEUROSEARCH A/S (DK) 2009-06-18 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 (1 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-20110003867-A1 NOVEL 2-ETHYL-METHYL-AMINO-3-AMIDO-6-AMINO-PYRIDINE DERIVATIVES USEFUL AS POTASSIUM CHANNEL ACTIVATORS KCNA7, KCNN3, KCNJ2 TXNRD1 2346/4885GSR 2303/4885MAPT 1741/4885

“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.