SCHEMBL954711

SCHEMBL954711

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

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 5/20 0.48
GSR P00390 3/20 0.48
MAPT P10636 4/20 0.46
MERTK Q12866 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.42
ALDH3A1 P30838 1/20 0.41
VCAM1 P19320 3/20 0.40
HCAR3 P49019 1/20 0.40
TDP1 Q9NUW8 2/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.38
PGK1 P00558 1/20 0.37

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
SCHEMBL28460738 0.88 MAPT (0.43) TXNRD1GSRMAPTMERTKL3MBTL1
SCHEMBL963587 0.85 TXNRD1 (0.47) TXNRD1GSRMAPTMERTKL3MBTL1
SCHEMBL27913490 0.84 TXNRD1 (0.39) TXNRD1GSRMAPTMERTKL3MBTL1
SCHEMBL9136449 0.83 CTSB (0.45) TXNRD1MAPTL3MBTL1ALDH1A1MAPK1
SCHEMBL16469858 0.82 MAPT (0.42) TXNRD1GSRMAPTMERTKL3MBTL1
SCHEMBL937505 0.81 MERTK (0.49) TXNRD1GSRMAPTMERTKL3MBTL1
SCHEMBL29990867 0.81 MERTK (0.49) TXNRD1GSRMAPTMERTKL3MBTL1
SCHEMBL29064672 0.80 TXNRD1 (0.37) TXNRD1GSRMAPTMERTKL3MBTL1
SCHEMBL16470360 0.80 TXNRD1 (0.37) TXNRD1GSRMAPTMERTKL3MBTL1
SCHEMBL2474647 0.78 TXNRD1 (0.56) TXNRD1GSRMAPTL3MBTL1ALDH1A1

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-20110003865-A1 NOVEL 2-DIETHYLAMINO-3-AMIDO-6-AMINO-PYRIDINE DERIVATIVES USEFUL AS POTASSIUM CHANNEL ACTIVATORS NEUROSEARCH A/S (DK) 2011-01-06 US disclosed
US-20110003865-A1 NOVEL 2-DIETHYLAMINO-3-AMIDO-6-AMINO-PYRIDINE DERIVATIVES USEFUL AS POTASSIUM CHANNEL ACTIVATORS NEUROSEARCH A/S (DK) 2011-01-06 US disclosed
US-20110003865-A1 NOVEL 2-DIETHYLAMINO-3-AMIDO-6-AMINO-PYRIDINE DERIVATIVES USEFUL AS POTASSIUM CHANNEL ACTIVATORS NEUROSEARCH A/S (DK) 2011-01-06 US disclosed
EP-2231608-A1 NOVEL 2-DIETHYLAMINO-3-AMIDO-6-AMINO-PYRIDINE DERIVATIVES USEFUL AS POTASSIUM CHANNEL ACTIVATORS NeuroSearch A/S (DK) 2010-09-29 EP disclosed
WO-2009074592-A1 NOVEL 2-DIETHYLAMINO-3-AMIDO-6-AMINO-PYRIDINE DERIVATIVES USEFUL AS POTASSIUM CHANNEL ACTIVATORS NEUROSEARCH A/S (DK) 2009-06-18 WO disclosed
WO-2009074592-A1 NOVEL 2-DIETHYLAMINO-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-20110003865-A1 NOVEL 2-DIETHYLAMINO-3-AMIDO-6-AMINO-PYRIDINE DERIVATIVES USEFUL AS POTASSIUM CHANNEL ACTIVATORS KCNA7, KCNN3, KCNJ2 TXNRD1 2566/4885GSR 2561/4885MAPT 2090/4885

“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.