SCHEMBL3054833

SCHEMBL3054833

CCNc1cc(C(C)C)nc(Cl)c1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 1/20 0.41
HCAR3 P49019 1/20 0.35
LMNA P02545 3/20 0.34
MAPT P10636 6/20 0.33
POLB P06746 2/20 0.33
GAA P10253 2/20 0.33
ALDH1A1 P00352 4/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
MAPK1 P28482 2/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TLR9 Q9NR96 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
TLR7 Q9NYK1 1/20 0.32

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
SCHEMBL13997802 0.82 PGK1 (0.44) PGK1HCAR3LMNAMAPTPOLB
SCHEMBL27638150 0.73 ALDH1A1 (0.40) PGK1HCAR3LMNAMAPTPOLB
SCHEMBL5827758 0.72 MAPT (0.41) LMNAMAPTPOLBGAAALDH1A1
SCHEMBL3054835 0.72 ALDH1A1 (0.32) LMNAMAPTPOLBALDH1A1SMN1; SMN2
SCHEMBL11748432 0.71 PGK1 (0.43) PGK1MAPTPOLBGAAALDH1A1
SCHEMBL3065927 0.70 SMN1; SMN2 (0.36) HCAR3LMNAMAPTGAAALDH1A1
SCHEMBL3121902 0.69 PGK1 (0.43) PGK1HCAR3LMNAMAPTPOLB
SCHEMBL30391374 0.68 ALDH1A1 (0.42) PGK1HCAR3LMNAMAPTPOLB
SCHEMBL19690963 0.68 GLP1R (0.41) HCAR3LMNAMAPTPOLBALDH1A1
SCHEMBL7480289 0.68 NR4A2 (0.45) HCAR3MAPTPOLBALDH1A1SMN1; SMN2

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 12 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
CN-1553909-A Benzimidazole and pyridylimidazole derivatives as ligands for GABA receptors 2004-12-08 CN 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 PGK1 2722/4885HCAR3 271/4885LMNA 2796/4885
US-20080227793-A1 Benzimidazole and Pyridylimidazole Derivatives GABBR1, GABBR2, GABRA2 PGK1 2722/4885HCAR3 271/4885LMNA 2796/4885
US-20060025425-A1 Benzimidazole and pyridylimidazole derivatives GABBR1, GABBR2, GABRA2 PGK1 2722/4885HCAR3 271/4885LMNA 2796/4885
US-20030069257-A1 Benzimidazole and pyridylimidazole derivatives GABBR1, GABRA1, GABBR2 PGK1 2135/4885HCAR3 363/4885LMNA 2370/4885

“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.