SCHEMBL3065093

SCHEMBL3065093

CCNc1c([N+](=O)[O-])ccnc1C#N

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.39
PGK1 P00558 1/20 0.39
MAPT P10636 7/20 0.37
LMNA P02545 3/20 0.36
PKM P14618 1/20 0.36
HCAR3 P49019 1/20 0.36
NSD2 O96028 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CTSB P07858 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
CDK4 P11802 1/20 0.33
CDK2 P24941 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL3054474 0.74 ADORA2A (0.36) RAB9APGK1PKMSMN1; SMN2ALDH1A1
SCHEMBL5087943 0.72 VCAM1 (0.47) MAPTLMNAPKMKMT2ASMN1; SMN2
SCHEMBL2238161 0.72 ALDH1A1 (0.38) RAB9AMAPTLMNAPKMKMT2A
SCHEMBL3153199 0.71 RAB9A (0.51) RAB9APGK1MAPTHCAR3KMT2A
SCHEMBL6118560 0.71 TDP1 (0.52) PGK1MAPTLMNAHCAR3SMN1; SMN2
SCHEMBL30832623 0.68 PDE10A (0.51) RAB9AMAPTLMNAKMT2ACTSB
SCHEMBL126343 0.68 PDE10A (0.51) RAB9AMAPTLMNAKMT2ACTSB
SCHEMBL4034758 0.68 NPC1 (0.62) RAB9APGK1MAPTLMNAPKM
SCHEMBL7119630 0.68 MEN1 (0.41) RAB9AMAPTKMT2ACTSBALDH1A1
SCHEMBL15758244 0.66 ALDH1A1 (0.46) MAPTLMNAPKMKMT2ANPSR1

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 RAB9A 4000/4885PGK1 2722/4885MAPT 1046/4885
US-20080227793-A1 Benzimidazole and Pyridylimidazole Derivatives GABBR1, GABBR2, GABRA2 RAB9A 4000/4885PGK1 2722/4885MAPT 1046/4885
US-20060025425-A1 Benzimidazole and pyridylimidazole derivatives GABBR1, GABBR2, GABRA2 RAB9A 4000/4885PGK1 2722/4885MAPT 1046/4885
US-20030069257-A1 Benzimidazole and pyridylimidazole derivatives GABBR1, GABRA1, GABBR2 RAB9A 3846/4885PGK1 2135/4885MAPT 977/4885

“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.