SCHEMBL3050535

SCHEMBL3050535

CCn1c(Cn2ccnc2-c2cccc(Br)c2)nc2cc(C#N)ccc21

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.41
MAPT P10636 4/20 0.40
CYP11B2 P19099 5/20 0.39
HSD17B10 Q99714 3/20 0.37
LMNA P02545 2/20 0.37
TSHR P16473 1/20 0.37
ALDH1A1 P00352 2/20 0.37
APOBEC3G Q9HC16 1/20 0.37
ALOX5AP P20292 3/20 0.35
HTT P42858 1/20 0.35
GAA P10253 2/20 0.35
S1PR1 P21453 1/20 0.35
KDM4E B2RXH2 1/20 0.34
GLA P06280 1/20 0.34
NLRP3 Q96P20 1/20 0.34
CYP11B1 P15538 3/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 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
SCHEMBL3050242 0.93 PTGER4 (0.38) PTGER4MAPTCYP11B2HSD17B10LMNA
SCHEMBL3070797 0.92 PTGER4 (0.44) PTGER4MAPTCYP11B2HSD17B10LMNA
SCHEMBL3067696 0.92 PTGER4 (0.43) PTGER4MAPTCYP11B2HSD17B10LMNA
SCHEMBL3065208 0.89 TSHR (0.45) PTGER4MAPTCYP11B2TSHRALDH1A1
SCHEMBL3064140 0.89 PTGER4 (0.41) PTGER4MAPTCYP11B2HSD17B10ALDH1A1
SCHEMBL3069799 0.87 CYP11B2 (0.54) PTGER4MAPTCYP11B2HSD17B10ALDH1A1
SCHEMBL3064900 0.86 GRIN2B (0.41) PTGER4CYP11B2HSD17B10LMNAALDH1A1
SCHEMBL3070468 0.86 MAPT (0.46) PTGER4MAPTCYP11B2HSD17B10LMNA
SCHEMBL3060446 0.86 MAPT (0.42) PTGER4MAPTHSD17B10LMNATSHR
SCHEMBL3065899 0.85 CYP11B2 (0.39) PTGER4MAPTCYP11B2HSD17B10LMNA

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 PTGER4 1205/4885MAPT 1046/4885CYP11B2 47/4885
US-20080227793-A1 Benzimidazole and Pyridylimidazole Derivatives GABBR1, GABBR2, GABRA2 PTGER4 1205/4885MAPT 1046/4885CYP11B2 47/4885
US-20060025425-A1 Benzimidazole and pyridylimidazole derivatives GABBR1, GABBR2, GABRA2 PTGER4 1205/4885MAPT 1046/4885CYP11B2 47/4885

“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.