SCHEMBL3055669

SCHEMBL3055669

FC(F)(F)Cn1c(Cn2ccnc2-c2nccs2)nc2cccnc21

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.35
SCN9A Q15858 1/20 0.34
LMNA P02545 2/20 0.34
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
ENPP2 Q13822 4/20 0.33
TP53 P04637 3/20 0.32
TBXA2R P21731 1/20 0.32
AGTR2 P50052 2/20 0.31

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
SCHEMBL3066319 0.85 SLC6A9 (0.34) MAPTSCN9ALMNAENPP2TP53
SCHEMBL3064454 0.84 TP53 (0.42) MAPTLMNAENPP2TP53AGTR2
SCHEMBL3062225 0.81 HDAC1 (0.35) MAPTSCN9ALMNAHDAC1HDAC6
SCHEMBL13547841 0.81 CYP11B2 (0.34) ENPP2AGTR2
SCHEMBL5624758 0.79 HDAC1 (0.38) MAPTSCN9ALMNAHDAC1HDAC6
SCHEMBL3055020 0.79 AGTR2 (0.37) ENPP2TP53AGTR2
SCHEMBL3064420 0.79 CYP11B2 (0.40) MAPTSCN9ALMNAHDAC1HDAC6
SCHEMBL3066029 0.78 LMNA (0.40) MAPTSCN9ALMNAHDAC1HDAC6
SCHEMBL3057893 0.78 HDAC1 (0.39) MAPTSCN9ALMNAHDAC1HDAC6
SCHEMBL3061051 0.78 MAPT (0.42) MAPTSCN9AHDAC1HDAC6HDAC5

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
US-7300945-B2 Benzimidazole and pyridylimidazole derivatives NEUROGEN CORPORATION (US) 2007-11-27 US claimed
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-20100267698-A1 Benzimidazole and Pyridylimidazole Derivatives NEUROGEN CORPORATION 2010-10-21 US 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-7300945-B2 Benzimidazole and pyridylimidazole derivatives NEUROGEN CORPORATION (US) 2007-11-27 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
US-6916819-B2 Benzimidazole and pyridylimidazole derivatives NEUROGEN CORPORATION (US) 2005-07-12 US 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 (3 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 MAPT 1046/4885SCN9A 2970/4885LMNA 2796/4885
US-20080227793-A1 Benzimidazole and Pyridylimidazole Derivatives GABBR1, GABBR2, GABRA2 MAPT 1046/4885SCN9A 2970/4885LMNA 2796/4885
US-20060025425-A1 Benzimidazole and pyridylimidazole derivatives GABBR1, GABBR2, GABRA2 MAPT 1046/4885SCN9A 2970/4885LMNA 2796/4885

“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.