SCHEMBL3050464

SCHEMBL3050464

NCCCc1ccncc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
MAPT P10636 1/20 0.42
CYP2A6 P11509 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.41
HTT P42858 2/20 0.40
RAB9A P51151 1/20 0.40
KAT2B Q92831 3/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
AOC1 P19801 2/20 0.38
AOC3 Q16853 2/20 0.38
GAA P10253 1/20 0.38
HRH1 P35367 4/20 0.37
STK17A Q9UEE5 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
SCHEMBL13566166 0.83 ALDH1A1 (0.42) ALDH1A1MAPTHTTRAB9AMEN1
SCHEMBL27608929 0.79 ALDH1A1 (0.44) ALDH1A1MAPTHTTRAB9AMEN1
SCHEMBL1982550 0.79 ALDH1A1 (0.44) ALDH1A1MAPTHTTRAB9AMEN1
SCHEMBL12343951 0.79 ALDH1A1 (0.46) ALDH1A1MAPTCYP2A6HTTRAB9A
SCHEMBL27658733 0.78 ALDH1A1 (0.41) ALDH1A1MAPTHTTRAB9AMEN1
SCHEMBL5115689 0.77 ALDH1A1 (0.45) ALDH1A1MAPTHTTRAB9AMEN1
SCHEMBL14705521 0.77 ALDH1A1 (0.45) ALDH1A1MAPTHTTRAB9AMEN1
SCHEMBL4664879 0.77 ALDH1A1 (0.45) ALDH1A1MAPTLOXL2HTTRAB9A
SCHEMBL320336 0.75 HTR6 (0.47) ALDH1A1MAPTHTTRAB9AMEN1
SCHEMBL27964024 0.75 ALDH1A1 (0.58) ALDH1A1HTTRAB9AKAT2BMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1368342-B3 BENZIMIDAZOLE AND PYRIDYLIMIDAZOLE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS NEUROGEN CORP (US) 2010-12-01 EP disclosed
US-20100267698-A1 Benzimidazole and Pyridylimidazole Derivatives NEUROGEN CORPORATION 2010-10-21 US disclosed
US-7642267-B2 Benzimidazole and pyridylimidazole derivatives NEUROGEN CORPORATION (US) 2010-01-05 US disclosed
US-20080227793-A1 Benzimidazole and Pyridylimidazole Derivatives NEUROGEN CORPORATION 2008-09-18 US disclosed
US-7300945-B2 Benzimidazole and pyridylimidazole derivatives NEUROGEN CORPORATION (US) 2007-11-27 US disclosed
US-20060025425-A1 Benzimidazole and pyridylimidazole derivatives NEUROGEN CORPORATION 2006-02-02 US disclosed
EP-1368342-B1 BENZIMIDAZOLE AND PYRIDYLIMIDAZOLE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS NEUROGEN CORP (US) 2005-09-07 EP disclosed
US-6916819-B2 Benzimidazole and pyridylimidazole derivatives NEUROGEN CORPORATION (US) 2005-07-12 US disclosed
EP-1368342-A2 BENZIMIDAZOLE AND PYRIDYLIMIDAZOLE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS NEUROGEN CORPORATION (US) 2003-12-10 EP disclosed
US-20030069257-A1 Benzimidazole and pyridylimidazole derivatives NEUROGEN CORPORATION 2003-04-10 US disclosed
WO-2002050062-A2 BENZIMIDAZOLE AND PYRIDYLIMIDAZOLE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS NEUROGEN CORPORATION (US) 2002-06-27 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 (4 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-20100267698-A1 Benzimidazole and Pyridylimidazole Derivatives GABBR1, GABBR2, GABRA2 ALDH1A1 470/4885MAPT 1046/4885CYP2A6 147/4885
US-20080227793-A1 Benzimidazole and Pyridylimidazole Derivatives GABBR1, GABBR2, GABRA2 ALDH1A1 470/4885MAPT 1046/4885CYP2A6 147/4885
US-20060025425-A1 Benzimidazole and pyridylimidazole derivatives GABBR1, GABBR2, GABRA2 ALDH1A1 470/4885MAPT 1046/4885CYP2A6 147/4885
US-20030069257-A1 Benzimidazole and pyridylimidazole derivatives GABBR1, GABRA1, GABBR2 ALDH1A1 220/4885MAPT 977/4885CYP2A6 125/4885

“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.