SCHEMBL3073520

SCHEMBL3073520

CCn1c(Cn2ccnc2-c2cccc([N+](=O)[O-])c2)nc2cc(C#N)ccc21

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CFTR P13569 6/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
THRB P10828 2/20 0.43
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
PTGER4 P35408 1/20 0.39
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP11B2 P19099 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
SCHEMBL3070797 0.88 PTGER4 (0.44) CFTRMAPTKDM4EALDH1A1GAA
SCHEMBL3067696 0.88 PTGER4 (0.43) KMT2AMEN1MAPTKDM4EALDH1A1
SCHEMBL3060192 0.87 CFTR (0.46) CFTRKMT2AMEN1THRBMAPT
SCHEMBL3064140 0.85 PTGER4 (0.41) MAPTKDM4EALDH1A1GAAPTGER4
SCHEMBL3065208 0.85 TSHR (0.45) KMT2AMAPTALDH1A1PTGER4CYP11B2
SCHEMBL3050535 0.85 PTGER4 (0.41) MAPTKDM4EALDH1A1GAAPTGER4
SCHEMBL3055972 0.84 THRB (0.47) CFTRKMT2AMEN1THRBMAPT
SCHEMBL3070403 0.83 KMT2A (0.49) CFTRKMT2AMEN1THRBMAPT
SCHEMBL3073283 0.83 KMT2A (0.49) CFTRKMT2AMEN1THRBMAPT
SCHEMBL3069799 0.83 CYP11B2 (0.54) KMT2AMEN1THRBMAPTKDM4E

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 15 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-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-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 CFTR 1550/4885KMT2A 1769/4885MEN1 3395/4885
US-20080227793-A1 Benzimidazole and Pyridylimidazole Derivatives GABBR1, GABBR2, GABRA2 CFTR 1550/4885KMT2A 1769/4885MEN1 3395/4885
US-20060025425-A1 Benzimidazole and pyridylimidazole derivatives GABBR1, GABBR2, GABRA2 CFTR 1550/4885KMT2A 1769/4885MEN1 3395/4885

“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.