SCHEMBL3065402

SCHEMBL3065402

CCn1c(Cn2ccnc2-c2cccc(OC)c2)nc2cc(F)ccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.42
MAPT P10636 8/20 0.41
GAA P10253 1/20 0.41
NTRK1 P04629 1/20 0.40
NTRK2 Q16620 1/20 0.40
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
NPC1 O15118 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
RAB9A P51151 1/20 0.39
NLRP3 Q96P20 1/20 0.39
PPARG P37231 1/20 0.39
PDE10A Q9Y233 1/20 0.39
TBXA2R P21731 1/20 0.39
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38

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
SCHEMBL3063221 0.89 NLRP3 (0.43) MAPTGAANTRK1NTRK2CYP11B1
SCHEMBL3059869 0.87 CYP11B1 (0.41) MAPTGAANTRK1NTRK2CYP11B1
SCHEMBL3050438 0.87 CYP11B1 (0.41) MAPTGAACYP11B1CYP11B2NPC1
SCHEMBL3070468 0.87 MAPT (0.46) MAPTGAACYP11B1CYP11B2NLRP3
SCHEMBL3061263 0.86 CYP11B2 (0.42) MAPTGAACYP11B1CYP11B2NLRP3
SCHEMBL3049258 0.85 CYP11B1 (0.40) MAPTGAACYP11B1CYP11B2NLRP3
SCHEMBL3065899 0.84 CYP11B2 (0.39) MAPTGAACYP11B1CYP11B2CYP1A2
SCHEMBL3064812 0.84 CYP11B1 (0.39) MAPTGAACYP11B1CYP11B2NPC1
SCHEMBL3055670 0.83 THRB (0.47) MAPTGAAPPARG
SCHEMBL3059979 0.83 NPC1 (0.46) MAPTGAANTRK1NTRK2CYP11B1

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 TDP1 3206/4885MAPT 1046/4885GAA 1402/4885
US-20080227793-A1 Benzimidazole and Pyridylimidazole Derivatives GABBR1, GABBR2, GABRA2 TDP1 3206/4885MAPT 1046/4885GAA 1402/4885
US-20060025425-A1 Benzimidazole and pyridylimidazole derivatives GABBR1, GABBR2, GABRA2 TDP1 3206/4885MAPT 1046/4885GAA 1402/4885

“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.