SCHEMBL3070367

SCHEMBL3070367

CCCn1c(Cn2ccnc2-c2cccc(F)n2)nc2ccc(C(=O)OC)cc21

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACSS2 Q9NR19 1/20 0.42
TP53 P04637 2/20 0.42
GAA P10253 1/20 0.42
GLP1R P43220 11/20 0.38
KDM4E B2RXH2 1/20 0.38
CNR2 P34972 1/20 0.37
ALOX15 P16050 1/20 0.36
HTT P42858 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
PPARG P37231 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
SCHEMBL3547609 0.90 MEN1 (0.38) ACSS2TP53GLP1RKDM4EHTT
SCHEMBL3050434 0.88 ACSS2 (0.42) ACSS2TP53GLP1RMEN1KMT2A
SCHEMBL3065201 0.87 TP53 (0.45) TP53GAAKDM4ECNR2MAPT
SCHEMBL5627613 0.86 TP53 (0.37) TP53GAAKDM4ECNR2MAPT
SCHEMBL13089664 0.85 CYP11B2 (0.39) TP53KDM4EMEN1KMT2A
SCHEMBL3068679 0.84 GLP1R (0.40) ACSS2GLP1RCNR2KMT2A
SCHEMBL3065708 0.83 CNR2 (0.40) TP53GAAKDM4ECNR2MAPT
SCHEMBL13089648 0.83 MAPK10 (0.40) GAAKDM4ECNR2MAPTTHRB
SCHEMBL3067526 0.83 MEN1 (0.38) TP53GAAKDM4ECNR2MAPT
SCHEMBL13010691 0.82 MEN1 (0.40) TP53GAAKDM4ECNR2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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 ACSS2 2555/4885TP53 4833/4885GAA 1402/4885
US-20080227793-A1 Benzimidazole and Pyridylimidazole Derivatives GABBR1, GABBR2, GABRA2 ACSS2 2555/4885TP53 4833/4885GAA 1402/4885
US-20060025425-A1 Benzimidazole and pyridylimidazole derivatives GABBR1, GABBR2, GABRA2 ACSS2 2555/4885TP53 4833/4885GAA 1402/4885

“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.