SCHEMBL2318709

SCHEMBL2318709

CC(C)c1ccc(Br)cc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.54
S100A4 P26447 1/20 0.45
TRPV1 Q8NER1 1/20 0.45
CYP1A2 P05177 1/20 0.38
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38
GABRA4 P48169 1/20 0.38
GABRE P78334 1/20 0.38
GABRA6 Q16445 1/20 0.38
GABRG1 Q8N1C3 1/20 0.38
GABRG3 Q99928 1/20 0.38
GABRQ Q9UN88 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
SCHEMBL2019613 0.86 S100A4 (0.43) PDK1S100A4TRPV1CYP1A2ERN1
SCHEMBL27839175 0.86 PDK1 (0.44) PDK1S100A4TRPV1CYP1A2ERN1
SCHEMBL17361847 0.83 PDK1 (0.42) PDK1S100A4TRPV1CYP1A2ERN1
SCHEMBL6234820 0.82 PDK1 (0.41) PDK1S100A4TRPV1ERN1LMNA
SCHEMBL1613117 0.82 PDK1 (0.44) PDK1S100A4TRPV1CYP1A2LMNA
SCHEMBL1613121 0.82 PDK1 (0.44) PDK1S100A4TRPV1CYP1A2LMNA
SCHEMBL9735630 0.79 PDK1 (0.55) PDK1CYP1A2LMNACYP3A4TSHR
SCHEMBL2436246 0.79 TSHR (0.62) PDK1CYP1A2LMNAKDM4ECYP3A4
SCHEMBL20364501 0.79 PDK1 (0.55) PDK1CYP1A2LMNACYP3A4TSHR
SCHEMBL27506898 0.78 ALDH1A1 (0.45) PDK1S100A4TRPV1ERN1LMNA

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250066355-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2025-02-27 US disclosed
US-12172998-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2024-12-24 US disclosed
US-20230117519-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2023-04-20 US disclosed
US-11535616-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC (US) 2022-12-27 US disclosed
EP-3453710-B1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RES INC (US) 2022-09-21 EP disclosed
EP-3430008-B1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RES INC (US) 2022-05-18 EP disclosed
EP-3193601-B1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RES INC (US) 2022-01-05 EP disclosed
EP-3924343-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL ANTI-DIABETIC AGENTS Merck Sharp & Dohme Corp. (US) 2021-12-22 EP disclosed
US-20210009585-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2021-01-14 US disclosed
US-10815234-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2020-10-27 US disclosed
US-8394969-B2 Cyclic benzimidazole derivatives useful as anti-diabetic agents MERCK SHARP & DOHME CORP. (US) 2013-03-12 US disclosed
US-8329914-B2 Cyclic benzimidazole derivatives useful as anti-diabetic agents MERCK SHARP & DOHME CORP (US) 2012-12-11 US disclosed
US-20110263533-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS MERCK SHARP & DOHME CORP. 2011-10-27 US disclosed
US-20110218174-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS MERCK SHARP & DOHME CORP. (US) 2011-09-08 US disclosed
EP-2362731-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL ANTI-DIABETIC AGENTS Merck Sharp & Dohme Corp. (US) 2011-09-07 EP disclosed
EP-2348857-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL ANTI-DIABETIC AGENTS Merck Sharp & Dohme Corp. (US) 2011-08-03 EP disclosed
WO-2010051206-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL ANTI-DIABETIC AGENTS MERCK SHARP & DOHME CORP. (US) 2010-05-06 WO disclosed
WO-2010047982-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL ANTI-DIABETIC AGENTS MERCK SHARP & DOHME CORP. (US) 2010-04-29 WO disclosed
US-20100081643-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS MERCK SHARP & DOHME LLC 2010-04-01 US disclosed
WO-2010036613-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL ANTI-DIABETIC AGENTS MERCK SHARP & DOHME CORP. (US) 2010-04-01 WO 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 (9 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-20110263533-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS PRKAG2, PRKAG1, PRKAB2 PDK1 80/4885S100A4 4559/4885TRPV1 2354/4885
US-12172998-B2 Histone demethylase inhibitors KDM1B, KDM1A, KDM5C PDK1 524/4885S100A4 3746/4885TRPV1 4189/4885
US-11535616-B2 Histone demethylase inhibitors KDM1B, KDM1A, KDM5C PDK1 524/4885S100A4 3746/4885TRPV1 4189/4885
US-20100081643-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS PRKAG2, PRKAG1, PRKAB2 PDK1 80/4885S100A4 4559/4885TRPV1 2354/4885
US-20230117519-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, KDM5C PDK1 524/4885S100A4 3746/4885TRPV1 4189/4885
US-20110218174-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS PRKAG2, PRKAG1, PRKAB2 PDK1 80/4885S100A4 4559/4885TRPV1 2354/4885
US-20210009585-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, KDM5C PDK1 524/4885S100A4 3746/4885TRPV1 4189/4885
US-20250066355-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, KDM5C PDK1 524/4885S100A4 3746/4885TRPV1 4189/4885
US-10815234-B2 Histone demethylase inhibitors KDM1B, KDM1A, KDM5C PDK1 524/4885S100A4 3746/4885TRPV1 4189/4885

“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.