SCHEMBL101570

SCHEMBL101570

O=[N+]([O-])c1ccc(Cl)nc1N1CCCC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.69
MAPK1 P28482 5/20 0.69
POLB P06746 5/20 0.69
MAPT P10636 4/20 0.69
TDP1 Q9NUW8 2/20 0.69
L3MBTL1 Q9Y468 3/20 0.62
CYP1A2 P05177 3/20 0.56
CYP2C19 P33261 3/20 0.56
CYP2C9 P11712 2/20 0.56
LMNA P02545 3/20 0.53
HTT P42858 1/20 0.50
GAA P10253 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
USP2 O75604 1/20 0.48
TNNI3 P19429 1/20 0.48
TNNT2 P45379 1/20 0.48
TNNC1 P63316 1/20 0.48
HPGD P15428 1/20 0.48
GSR P00390 1/20 0.47

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
SCHEMBL952111 0.86 POLB (0.58) ALDH1A1MAPK1POLBMAPTTDP1
SCHEMBL3239219 0.86 CYP1A2 (0.59) ALDH1A1MAPK1POLBMAPTTDP1
SCHEMBL30434695 0.86 POLB (0.58) ALDH1A1MAPK1POLBMAPTTDP1
SCHEMBL9564464 0.86 POLB (0.58) ALDH1A1MAPK1POLBMAPTTDP1
SCHEMBL22120606 0.85 POLB (0.56) ALDH1A1MAPK1POLBMAPTTDP1
SCHEMBL11654178 0.84 ALDH1A1 (0.69) ALDH1A1MAPK1POLBMAPTTDP1
SCHEMBL3538908 0.84 TDP1 (0.59) ALDH1A1MAPK1POLBMAPTTDP1
SCHEMBL29074136 0.84 POLB (0.55) ALDH1A1MAPK1POLBMAPTTDP1
SCHEMBL9437331 0.83 L3MBTL1 (0.64) ALDH1A1MAPK1POLBMAPTTDP1
SCHEMBL2416386 0.82 ALDH1A1 (1.00) ALDH1A1MAPK1POLBMAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120059037-A1 SUBSTITUTED PYRIDINE DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2012-03-08 US disclosed
US-20120059037-A1 SUBSTITUTED PYRIDINE DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2012-03-08 US disclosed
US-20120059037-A1 SUBSTITUTED PYRIDINE DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2012-03-08 US disclosed
EP-2408747-A1 SUBSTITUTED PYRIDINE DERIVATIVES AND THEIR MEDICAL USE NeuroSearch A/S (DK) 2012-01-25 EP disclosed
US-20110039896-A1 NOVEL 2-PYRROLIDINYL-3-AMIDO-6-AMINO-PYRIDINE DERIVATIVES USEFUL AS POTASSIUM CHANNEL ACTIVATORS NEUROSEARCH A/S (DK) 2011-02-17 US disclosed
US-20110039896-A1 NOVEL 2-PYRROLIDINYL-3-AMIDO-6-AMINO-PYRIDINE DERIVATIVES USEFUL AS POTASSIUM CHANNEL ACTIVATORS NEUROSEARCH A/S (DK) 2011-02-17 US disclosed
US-20110039896-A1 NOVEL 2-PYRROLIDINYL-3-AMIDO-6-AMINO-PYRIDINE DERIVATIVES USEFUL AS POTASSIUM CHANNEL ACTIVATORS NEUROSEARCH A/S (DK) 2011-02-17 US disclosed
EP-2231611-A1 NOVEL 2-PYRROLIDINYL-3-AMIDO-6-AMINO-PYRIDINE DERIVATIVES USEFUL AS POTASSIUM CHANNEL ACTIVATORS NeuroSearch A/S (DK) 2010-09-29 EP disclosed
WO-2010105960-A1 SUBSTITUTED PYRIDINE DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2010-09-23 WO disclosed
WO-2010105960-A1 SUBSTITUTED PYRIDINE DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2010-09-23 WO disclosed
WO-2010026104-A1 4-TETRAHYDROPYRAN-AMINOPYRIDINE DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2010-03-11 WO disclosed
WO-2010026104-A1 4-TETRAHYDROPYRAN-AMINOPYRIDINE DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2010-03-11 WO disclosed
WO-2009074593-A1 NOVEL 2-PYRROLIDINYL-3-AMIDO-6-AMINO-PYRIDINE DERIVATIVES USEFUL AS POTASSIUM CHANNEL ACTIVATORS NEUROSEARCH A/S (DK) 2009-06-18 WO disclosed
WO-2009074593-A1 NOVEL 2-PYRROLIDINYL-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 (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-20110039896-A1 NOVEL 2-PYRROLIDINYL-3-AMIDO-6-AMINO-PYRIDINE DERIVATIVES USEFUL AS POTASSIUM CHANNEL ACTIVATORS KCNA7, KCNJ2, KCNN3 ALDH1A1 3708/4885MAPK1 1976/4885POLB 4555/4885
US-20120059037-A1 SUBSTITUTED PYRIDINE DERIVATIVES AND THEIR MEDICAL USE KCNA7, KCNQ1, KCNQ2 ALDH1A1 3417/4885MAPK1 2065/4885POLB 3756/4885

“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.