SCHEMBL3072697

SCHEMBL3072697

Clc1cccc(-c2nccn2Cc2nc3cccnc3n2CC2CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.40
PDE4B Q07343 2/20 0.38
PDE4D Q08499 1/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
LMNA P02545 2/20 0.38
BRD4 O60885 1/20 0.37
MDM2 Q00987 2/20 0.36
MAPT P10636 3/20 0.36
CYP3A4 P08684 1/20 0.35
SCN9A Q15858 1/20 0.35
USP2 O75604 1/20 0.35
TSHR P16473 1/20 0.35
CASP1 P29466 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ENPP2 Q13822 1/20 0.35
PDE6D O43924 1/20 0.34

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
SCHEMBL3065712 0.86 LMNA (0.42) KDM4EALDH1A1HPGDLMNABRD4
SCHEMBL3067631 0.86 CNR2 (0.43) PDE4BPDE4DMAPTCYP3A4SCN9A
SCHEMBL3070587 0.85 ALOX5 (0.43) PDE4AKDM4EBRD4MDM2PDE6D
SCHEMBL3066029 0.85 LMNA (0.40) KDM4EALDH1A1HPGDLMNABRD4
SCHEMBL3065377 0.84 TP53 (0.43) KDM4EALDH1A1HPGDLMNABRD4
SCHEMBL5624669 0.83 CYP11B1 (0.38) PDE4AALDH1A1BRD4MDM2PDE6D
SCHEMBL3064428 0.81 CYP3A4 (0.36) PDE4BPDE4DLMNAMAPTCYP3A4
SCHEMBL3066929 0.81 PDE2A (0.38) PDE4BPDE4DMAPTCYP3A4SCN9A
SCHEMBL3066319 0.78 SLC6A9 (0.34) ALDH1A1HPGDLMNAMDM2MAPT
SCHEMBL3060643 0.77 GRIN2B (0.41) KDM4ELMNACYP3A4HTT

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 14 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-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-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 PDE4A 1667/4885PDE4B 1483/4885PDE4D 1624/4885
US-20080227793-A1 Benzimidazole and Pyridylimidazole Derivatives GABBR1, GABBR2, GABRA2 PDE4A 1667/4885PDE4B 1483/4885PDE4D 1624/4885

“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.