SCHEMBL965776

SCHEMBL965776

Cc1c(C)c([N+](=O)[O-])c([N+](=O)[O-])c(C)c1C(=O)Cl

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.35
ALDH1A1 P00352 4/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 4/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
IMPDH2 P12268 2/20 0.32
TSHR P16473 5/20 0.32
GRIN2D O15399 1/20 0.30
GRIN3B O60391 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2A Q12879 1/20 0.30
GRIN2B Q13224 1/20 0.30
GRIN2C Q14957 1/20 0.30
GRIN3A Q8TCU5 1/20 0.30

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
SCHEMBL8099706 0.94 ALDH1A1 (0.36) POLBALDH1A1SMN1; SMN2TDP1L3MBTL1
SCHEMBL4632603 0.77 ALDH1A1 (0.38) POLBALDH1A1TDP1L3MBTL1KDM4E
SCHEMBL2154609 0.76 ALDH1A1 (0.39) ALDH1A1TSHR
SCHEMBL13948532 0.76 TDP1 (0.46) POLBALDH1A1SMN1; SMN2TDP1L3MBTL1
SCHEMBL12348427 0.75 SMN1; SMN2 (0.39) POLBALDH1A1SMN1; SMN2TDP1L3MBTL1
SCHEMBL27344248 0.74 ALDH1A1 (0.33) POLBALDH1A1SMN1; SMN2TDP1TSHR
SCHEMBL10564352 0.74 POLB (0.58) POLBALDH1A1SMN1; SMN2TDP1KDM4E
SCHEMBL21224555 0.74 TDP1 (0.44) POLBALDH1A1SMN1; SMN2TDP1L3MBTL1
SCHEMBL816707 0.74 ALDH1A1 (0.38) ALDH1A1KDM4ETSHR
SCHEMBL6512240 0.74 TDP1 (0.48) ALDH1A1SMN1; SMN2TDP1IMPDH2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120172401-A1 BENZIMIDAZOLE DERIVATIVE AND USE AS ANGIOTENSIN II ANTAGONIST TAKEDA PHARMACEUTICAL COMPANY LIMITED 2012-07-05 US disclosed
EP-2119715-B1 Benzimidazole derivative and its use as AII receptor antagonist TAKEDA PHARMACEUTICAL (JP) 2012-05-30 EP disclosed
US-7875637-B2 improving insulin resistance with azilsartan medoxomil, aka (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-ethoxy-1-{[2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]methyl}-1H-benzimidazole-7-carboxylate; combination therapy with other antidiabetic agents TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-25 US disclosed
EP-1863801-B1 BENZIMIDAZOLE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2010-09-29 EP disclosed
EP-2119715-A1 Benzimidazole derivative and its use as aii receptor antagonist Takeda Pharmaceutical Company Limited (JP) 2009-11-18 EP disclosed
US-20090270464-A1 Benzimidazole derivative and use as a II receptor antagonist TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-10-29 US disclosed
EP-1857457-B1 Benzimidazole derivative and its use as AII receptor antagonist TAKEDA PHARMACEUTICAL (JP) 2009-08-19 EP disclosed
US-7572920-B2 Benzimidazole derivative and use as a II receptor antagonist TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-08-11 US disclosed
US-20090054502-A1 Benzimidazole Derivative and Use as Angiotensin II Antagonist TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-02-26 US disclosed
EP-1863801-A2 BENZIMIDAZOLE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2007-12-12 EP disclosed
EP-1857457-A2 Benzimidazole derivative and its use as AII receptor antagonist Takeda Pharmaceutical Company Limited (JP) 2007-11-21 EP disclosed
EP-1718641-B1 BENZIMIDAZOLE DERIVATIVE AND ITS USE AS A II RECEPTOR ANTAGONIST TAKEDA PHARMACEUTICAL (JP) 2007-08-15 EP disclosed
US-7157584-B2 Benzimidazole derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-02 US disclosed
US-20060281795-A1 Benzinidazole Derivative and Use As AII Receptor Antagonist TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-12-14 US disclosed
WO-2005080384-A9 BENZIMIDAZOLE DERIVATIVE AND USE AS AII RECEPTOR ANTAGONIST TAKEDA PHARMACEUTICAL (JP) 2006-11-30 WO disclosed
EP-1718641-A2 BENZIMIDAZOLE DERIVATIVE AND ITS USE AS AII RECEPTOR ANTAGONIST Takeda Pharmaceutical Company Limited (JP) 2006-11-08 EP disclosed
WO-2006107062-A2 BENZIMIDAZOLE DERIVATIVE AND USE AS ANGIOTENSIN II ANTAGONIST TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-10-12 WO disclosed
WO-2005080384-A2 BENZIMIDAZOLE DERIVATIVE AND USE AS AII RECEPTOR ANTAGONIST TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-09-01 WO disclosed
US-20050187269-A1 Benzimidazole derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED 2005-08-25 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 (5 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-20120172401-A1 BENZIMIDAZOLE DERIVATIVE AND USE AS ANGIOTENSIN II ANTAGONIST AGTR2, AGTR1, ACE POLB 3193/4885ALDH1A1 221/4885SMN1; SMN2 4555/4885
US-20090054502-A1 Benzimidazole Derivative and Use as Angiotensin II Antagonist AGTR2, AGTR1, ACE POLB 3193/4885ALDH1A1 221/4885SMN1; SMN2 4555/4885
US-20060281795-A1 Benzinidazole Derivative and Use As AII Receptor Antagonist AGTR1, AGTR2, GPR119 POLB 4653/4885ALDH1A1 413/4885SMN1; SMN2 4529/4885
US-20050187269-A1 Benzimidazole derivative and use thereof REN, H1-3, GPR119 POLB 3655/4885ALDH1A1 314/4885SMN1; SMN2 4004/4885
US-20090270464-A1 Benzimidazole derivative and use as a II receptor antagonist AGTR1, BDKRB1, GPR119 POLB 4419/4885ALDH1A1 1044/4885SMN1; SMN2 4418/4885

“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.