SCHEMBL3070468

SCHEMBL3070468

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.46
LMNA P02545 3/20 0.46
CYP11B1 P15538 2/20 0.41
CYP11B2 P19099 2/20 0.41
HSD17B10 Q99714 3/20 0.39
TSHR P16473 1/20 0.39
ALDH1A1 P00352 4/20 0.39
APOBEC3G Q9HC16 1/20 0.39
RPS6KA5 O75582 1/20 0.38
TBXA2R P21731 2/20 0.37
GAA P10253 3/20 0.36
NLRP3 Q96P20 1/20 0.36
MAP4K1 Q92918 1/20 0.36
PTGER4 P35408 1/20 0.35
AGTR1 P30556 1/20 0.35
AGTR2 P50052 1/20 0.35
KDM4E B2RXH2 2/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HDAC1 Q13547 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
SCHEMBL3055454 0.92 MAPT (0.39) MAPTLMNACYP11B1CYP11B2HSD17B10
SCHEMBL3063221 0.91 NLRP3 (0.43) MAPTCYP11B1CYP11B2ALDH1A1RPS6KA5
SCHEMBL3059869 0.88 CYP11B1 (0.41) MAPTCYP11B1CYP11B2ALDH1A1APOBEC3G
SCHEMBL3050438 0.88 CYP11B1 (0.41) MAPTCYP11B1CYP11B2HSD17B10ALDH1A1
SCHEMBL3060446 0.88 MAPT (0.42) MAPTLMNAHSD17B10TSHRALDH1A1
SCHEMBL3061263 0.87 CYP11B2 (0.42) MAPTCYP11B1CYP11B2ALDH1A1RPS6KA5
SCHEMBL3049258 0.87 CYP11B1 (0.40) MAPTCYP11B1CYP11B2HSD17B10ALDH1A1
SCHEMBL3065402 0.87 TDP1 (0.42) MAPTCYP11B1CYP11B2TBXA2RGAA
SCHEMBL3065899 0.86 CYP11B2 (0.39) MAPTLMNACYP11B1CYP11B2HSD17B10
SCHEMBL3050535 0.86 PTGER4 (0.41) MAPTLMNACYP11B1CYP11B2HSD17B10

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 1046/4885LMNA 2796/4885CYP11B1 77/4885
US-20080227793-A1 Benzimidazole and Pyridylimidazole Derivatives GABBR1, GABBR2, GABRA2 MAPT 1046/4885LMNA 2796/4885CYP11B1 77/4885
US-20060025425-A1 Benzimidazole and pyridylimidazole derivatives GABBR1, GABBR2, GABRA2 MAPT 1046/4885LMNA 2796/4885CYP11B1 77/4885

“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.