SCHEMBL3049922

SCHEMBL3049922

CCCn1c(Cn2cc(Cl)nc2-c2cccc(F)c2)nc2ccc(Cl)cc21

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 1/20 0.39
▸ BRD4 O60885 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ PDE10A Q9Y233 2/20 0.37
▸ TP53 P04637 1/20 0.37
▸ GRM2 Q14416 2/20 0.37
▸ TLR8 Q9NR97 1/20 0.36
▸ CYP11B1 P15538 1/20 0.36
▸ CYP11B2 P19099 1/20 0.36
▸ PPARG P37231 1/20 0.36
▸ KCNH2 Q12809 1/20 0.35

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
SCHEMBL13089815 0.92 GRM5 (0.41) GRM5BRD4MAPTPDE10ATP53
SCHEMBL3061134 0.87 GRM5 (0.40) GRM5BRD4MAPTPDE10ATP53
SCHEMBL3067973 0.81 NPC1 (0.46) GRM5BRD4PDE10AGRM2PPARG
SCHEMBL3063448 0.78 CYP11B2 (0.45) BRD4MAPTTP53GRM2CYP11B1
SCHEMBL3060598 0.75 GRM5 (0.42) GRM5BRD4MAPTGRM2CYP11B1
SCHEMBL3062898 0.74 GRM5 (0.43) GRM5BRD4TP53GRM2KCNH2
SCHEMBL3060417 0.74 TP53 (0.50) MAPTTP53GRM2
SCHEMBL3064551 0.74 GRM5 (0.41) GRM5PDE10AGRM2CYP11B1CYP11B2
SCHEMBL3064971 0.73 BRD4 (0.40) BRD4MAPTTP53GRM2
SCHEMBL3067300 0.72 PDE6D (0.35) BRD4MAPTTP53TLR8CYP11B1

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 9 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-7642267-B2 Benzimidazole and pyridylimidazole derivatives NEUROGEN CORPORATION (US) 2010-01-05 — — 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-20080227793-A1 Benzimidazole and Pyridylimidazole Derivatives NEUROGEN CORPORATION 2008-09-18 — — US disclosed
US-20080227793-A1 Benzimidazole and Pyridylimidazole Derivatives NEUROGEN CORPORATION 2008-09-18 — — 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 (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-20100267698-A1 Benzimidazole and Pyridylimidazole Derivatives GABBR1, GABBR2, GABRA2 GRM5 122/4885BRD4 138/4885MAPT 1046/4885
US-20080227793-A1 Benzimidazole and Pyridylimidazole Derivatives GABBR1, GABBR2, GABRA2 GRM5 122/4885BRD4 138/4885MAPT 1046/4885

“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.

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