SCHEMBL3070320

SCHEMBL3070320

CCOC(=O)c1ccc2c(c1)nc(Cn1ccnc1-c1cccc(Cl)c1)n2CC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.53
NPSR1 Q6W5P4 2/20 0.53
NPC1 O15118 2/20 0.52
NLRP3 Q96P20 1/20 0.52
RAB9A P51151 2/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
HTT P42858 1/20 0.50
HSD17B10 Q99714 1/20 0.50
PTGER4 P35408 6/20 0.44
ALDH1A1 P00352 5/20 0.44
HPGD P15428 4/20 0.44
KDM4E B2RXH2 2/20 0.44
LMNA P02545 1/20 0.44
PDE2A O00408 1/20 0.42
POLB P06746 1/20 0.42
TSHR P16473 1/20 0.42
GAA P10253 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.41
SIRT1 Q96EB6 1/20 0.41

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
SCHEMBL3059306 0.90 ALDH1A1 (0.45) MAPTNPSR1NPC1NLRP3RAB9A
SCHEMBL3060152 0.90 THRB (0.52) MAPTMEN1KMT2AHSD17B10PTGER4
SCHEMBL3066097 0.90 KMT2A (0.50) MAPTNPSR1NPC1NLRP3MEN1
SCHEMBL3066086 0.88 ALDH1A1 (0.47) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL3057417 0.86 GABRA1 (0.45) MAPTNPSR1NPC1NLRP3RAB9A
SCHEMBL3057416 0.86 GABRA1 (0.45) MAPTNPSR1NPC1NLRP3RAB9A
SCHEMBL3059704 0.86 TP53 (0.42) MAPTNLRP3RAB9AKMT2AHTT
SCHEMBL3072861 0.85 KDM4E (0.39) MAPTNPSR1NPC1NLRP3RAB9A
SCHEMBL3072864 0.85 KDM4E (0.39) MAPTNPSR1NPC1NLRP3RAB9A
SCHEMBL3063244 0.85 GABRA1 (0.38) MAPTNPSR1NPC1NLRP3RAB9A

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 MAPT 1046/4885NPSR1 280/4885NPC1 1104/4885
US-20080227793-A1 Benzimidazole and Pyridylimidazole Derivatives GABBR1, GABBR2, GABRA2 MAPT 1046/4885NPSR1 280/4885NPC1 1104/4885
US-20060025425-A1 Benzimidazole and pyridylimidazole derivatives GABBR1, GABBR2, GABRA2 MAPT 1046/4885NPSR1 280/4885NPC1 1104/4885

“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.