SCHEMBL3050438

SCHEMBL3050438

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.41
CYP11B2 P19099 2/20 0.41
MAPT P10636 5/20 0.39
GAA P10253 3/20 0.39
RPS6KA5 O75582 1/20 0.38
PPARG P37231 1/20 0.38
MAP4K1 Q92918 2/20 0.37
AGTR1 P30556 1/20 0.37
AGTR2 P50052 1/20 0.37
NLRP3 Q96P20 2/20 0.36
ALDH1A1 P00352 3/20 0.36
PKM P14618 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 2/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36

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 0.91 NLRP3 (0.43) CYP11B1CYP11B2MAPTGAARPS6KA5
SCHEMBL3070468 0.88 MAPT (0.46) CYP11B1CYP11B2MAPTGAARPS6KA5
SCHEMBL3059869 0.88 CYP11B1 (0.41) CYP11B1CYP11B2MAPTGAARPS6KA5
SCHEMBL3061263 0.87 CYP11B2 (0.42) CYP11B1CYP11B2MAPTGAARPS6KA5
SCHEMBL3049258 0.87 CYP11B1 (0.40) CYP11B1CYP11B2MAPTGAARPS6KA5
SCHEMBL3055670 0.87 THRB (0.47) MAPTGAAPPARGMAP4K1AGTR1
SCHEMBL3059979 0.87 NPC1 (0.46) CYP11B1CYP11B2MAPTGAARPS6KA5
SCHEMBL3065402 0.87 TDP1 (0.42) CYP11B1CYP11B2MAPTGAAPPARG
SCHEMBL3070282 0.86 RPS6KA5 (0.38) CYP11B1CYP11B2MAPTGAARPS6KA5
SCHEMBL3065899 0.86 CYP11B2 (0.39) CYP11B1CYP11B2MAPTGAARPS6KA5

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 13 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-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 CYP11B1 77/4885CYP11B2 47/4885MAPT 1046/4885
US-20080227793-A1 Benzimidazole and Pyridylimidazole Derivatives GABBR1, GABBR2, GABRA2 CYP11B1 77/4885CYP11B2 47/4885MAPT 1046/4885

“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.