SCHEMBL4178856

SCHEMBL4178856

CC(C)(C)OC(=O)N1CCN(c2cccc(N)c2[N+](=O)[O-])CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.58
ALDH1A1 P00352 2/20 0.58
LMNA P02545 1/20 0.58
SMARCA2 P51531 1/20 0.49
SMARCA4 P51532 1/20 0.49
PBRM1 Q86U86 1/20 0.49
KCNH2 Q12809 1/20 0.48
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
MAP4K4 O95819 1/20 0.43
MET P08581 1/20 0.42
GPR119 Q8TDV5 2/20 0.42
CKS1B P61024 1/20 0.42
SKP1 P63208 1/20 0.42
SKP2 Q13309 1/20 0.42
PTPN11 Q06124 1/20 0.41
CCNT1 O60563 1/20 0.41

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
SCHEMBL29745194 1.00 MAPT (0.58) MAPTALDH1A1LMNASMARCA2SMARCA4
SCHEMBL5203786 0.88 ALDH1A1 (0.60) MAPTALDH1A1LMNAKCNH2MEN1
SCHEMBL4460142 0.87 MAPT (0.59) MAPTALDH1A1LMNASMARCA2SMARCA4
SCHEMBL1247295 0.87 MAPT (0.59) MAPTALDH1A1LMNASMARCA2SMARCA4
SCHEMBL23123966 0.86 ALDH1A1 (0.43) MAPTALDH1A1LMNASMARCA2SMARCA4
SCHEMBL23123008 0.86 ALDH1A1 (0.43) MAPTALDH1A1LMNASMARCA2SMARCA4
SCHEMBL29745366 0.86 ALDH1A1 (0.43) MAPTALDH1A1LMNASMARCA2SMARCA4
SCHEMBL3854881 0.86 MAPT (0.58) MAPTALDH1A1LMNASMARCA2SMARCA4
SCHEMBL26351952 0.85 ALDH1A1 (0.57) MAPTALDH1A1LMNASMARCA2SMARCA4
SCHEMBL6845367 0.84 MAPT (0.56) MAPTALDH1A1LMNASMARCA2SMARCA4

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024238598-A2 STAT DEGRADERS AND USES THEREOF RECLUDIX PHARMA, INC. (US) 2024-11-21 WO disclosed
EP-3755688-B1 INDOLE AND BENZIMIDAZOLE DERIVATIVES AS DUAL 5-HT2A AND 5-HT6 RECEPTOR ANTAGONISTS ADAMED PHARMA S A (PL) 2023-06-14 EP disclosed
US-20220380319-A1 SUBSTITUTED BENZIMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL R&D INVEST S A (PT) 2022-12-01 US disclosed
EP-4031532-A1 SUBSTITUTED BENZIMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS Bial-R&D Investments, S.A. (PT) 2022-07-27 EP disclosed
CN-114787136-A Substituted benzimidazole carboxamides and their use in the treatment of medical disorders 比亚尔R&D投资股份公司 2022-07-22 CN disclosed
WO-2021055591-A1 SUBSTITUTED BENZIMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL-BioTech Investments, Inc. (US) 2021-03-25 WO disclosed
WO-2019162306-A1 INDOLE AND BENZIMIDAZOLE DERIVATIVES AS DUAL 5-HT2A AND 5-HT6 RECEPTOR ANTAGONISTS ADAMED PHARMA S.A. (PL) 2019-08-29 WO disclosed
EP-3530651-A1 INDOLE AND BENZIMIDAZOLE DERIVATIVES AS DUAL 5-HT2A AND 5-HT6 RECEPTOR ANTAGONISTS Adamed sp. z o.o. (PL) 2019-08-28 EP disclosed
US-20090093454-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2009-04-09 US disclosed
US-20080214562-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-09-04 US disclosed
EP-1904501-A2 CHEMICAL COMPOUNDS Smithkline Beecham Corporation (US) 2008-04-02 EP disclosed
US-20080045537-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-02-21 US disclosed
EP-1853604-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2007-11-14 EP disclosed
EP-1789045-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-05-30 EP disclosed
WO-2007008539-A2 PYRANOPYRIDINE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-01-18 WO disclosed
WO-2006096444-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-09-14 WO disclosed
WO-2006023400-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-03-02 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 (4 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-20080214562-A1 Chemical Compounds CCR5, CXCR4, CXCR3 MAPT 3212/4885ALDH1A1 2428/4885LMNA 4465/4885
US-20080045537-A1 Chemical Compounds CCR5, CXCR4, CXCR3 MAPT 3251/4885ALDH1A1 2253/4885LMNA 4429/4885
US-20090093454-A1 Chemical Compounds SLC10A1, CYP11B2, CYP4F3 MAPT 923/4885ALDH1A1 286/4885LMNA 2628/4885
US-20220380319-A1 SUBSTITUTED BENZIMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS GAA, GBA1, CLN6 MAPT 483/4885ALDH1A1 1096/4885LMNA 602/4885

“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.