SCHEMBL3048622

SCHEMBL3048622

COc1ccc(NC(=O)Cn2cnc3cccc([N+](=O)[O-])c32)cc1OC

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.62
HTT P42858 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
PKM P14618 1/20 0.52
ALDH1A1 P00352 4/20 0.52
MAPT P10636 5/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
SETD7 Q8WTS6 1/20 0.46
KDM4E B2RXH2 2/20 0.46
HPGD P15428 1/20 0.46
GAA P10253 1/20 0.45
MAPK1 P28482 1/20 0.45
THRB P10828 1/20 0.45

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
SCHEMBL3032769 0.92 ALDH1A1 (0.53) POLBHTTSMN1; SMN2L3MBTL1PKM
SCHEMBL3039180 0.92 POLB (0.52) POLBHTTSMN1; SMN2L3MBTL1PKM
SCHEMBL3045466 0.90 MAPT (0.54) POLBHTTSMN1; SMN2L3MBTL1PKM
SCHEMBL4456795 0.87 SMN1; SMN2 (0.55) POLBSMN1; SMN2L3MBTL1PKMALDH1A1
SCHEMBL3038427 0.87 SMN1; SMN2 (0.49) POLBSMN1; SMN2L3MBTL1PKMALDH1A1
SCHEMBL4975663 0.86 POLB (0.53) POLBHTTSMN1; SMN2L3MBTL1PKM
SCHEMBL3039696 0.86 SMN1; SMN2 (0.51) POLBHTTSMN1; SMN2L3MBTL1PKM
SCHEMBL3039155 0.85 SMN1; SMN2 (0.64) POLBHTTSMN1; SMN2L3MBTL1PKM
SCHEMBL4976503 0.84 SMN1; SMN2 (0.53) POLBHTTSMN1; SMN2L3MBTL1PKM
SCHEMBL4974183 0.83 MAPT (0.61) SMN1; SMN2L3MBTL1ALDH1A1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7645784-B2 Benzimidazole derivatives ASTRAZENECA AB (SE) 2010-01-12 US claimed
EP-2042490-A2 Benzimidazole derivatives as vanilloid receptor antagonists AstraZeneca AB (SE) 2009-04-01 EP claimed
EP-1626964-B1 NEW BENZIMIDAZOLE DERIVATIVES ASTRAZENECA AB (SE) 2009-01-21 EP claimed
US-20060287377-A1 New benzimidazole derivatives ASTRAZENECA AB (SE) 2006-12-21 US claimed
CN-1784387-A Novel benzimidazole derivatives ASTRAZENECA AB (SE) 2006-06-07 CN claimed
EP-1626964-A2 NEW BENZIMIDAZOLE DERIVATIVES AstraZeneca AB (SE) 2006-02-22 EP claimed
WO-2004100865-A2 NEW BENZIMIDAZOLE DERIVATIVES ASTRAZENECA AB (SE) 2004-11-25 WO claimed
US-7645784-B2 Benzimidazole derivatives ASTRAZENECA AB (SE) 2010-01-12 US disclosed
EP-2042490-A2 Benzimidazole derivatives as vanilloid receptor antagonists AstraZeneca AB (SE) 2009-04-01 EP disclosed
EP-1626964-B1 NEW BENZIMIDAZOLE DERIVATIVES ASTRAZENECA AB (SE) 2009-01-21 EP disclosed
US-20060287377-A1 New benzimidazole derivatives ASTRAZENECA AB (SE) 2006-12-21 US disclosed
CN-1784387-A Novel benzimidazole derivatives ASTRAZENECA AB (SE) 2006-06-07 CN disclosed
EP-1626964-A2 NEW BENZIMIDAZOLE DERIVATIVES AstraZeneca AB (SE) 2006-02-22 EP disclosed
WO-2004100865-A2 NEW BENZIMIDAZOLE DERIVATIVES ASTRAZENECA AB (SE) 2004-11-25 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 (1 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-20060287377-A1 New benzimidazole derivatives CYP2C9, CDK9, CCNI POLB 746/4885HTT 3463/4885SMN1; SMN2 2297/4885

“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.