SCHEMBL3035754

SCHEMBL3035754

Cc1ccnc(NC(=O)Cn2cnc3cccc([N+](=O)[O-])c32)c1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.57
RAB9A P51151 5/20 0.57
POLB P06746 4/20 0.57
NPC1 O15118 4/20 0.57
GAA P10253 2/20 0.54
ALDH1A1 P00352 5/20 0.53
HPGD P15428 2/20 0.53
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
LMNA P02545 2/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
L3MBTL1 Q9Y468 3/20 0.46
PKM P14618 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MAPT P10636 3/20 0.43

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
SCHEMBL3042865 0.85 SMN1; SMN2 (0.53) SMN1; SMN2RAB9APOLBNPC1GAA
SCHEMBL3039155 0.81 SMN1; SMN2 (0.64) SMN1; SMN2RAB9APOLBGAAALDH1A1
SCHEMBL3037915 0.78 SMN1; SMN2 (0.53) SMN1; SMN2GAAALDH1A1KMT2AMEN1
SCHEMBL3039696 0.78 SMN1; SMN2 (0.51) SMN1; SMN2POLBGAAALDH1A1KMT2A
SCHEMBL4974430 0.78 SMN1; SMN2 (0.53) SMN1; SMN2GAAALDH1A1KMT2AMEN1
SCHEMBL3038683 0.78 L3MBTL1 (0.58) SMN1; SMN2GAAALDH1A1HPGDKMT2A
SCHEMBL4456795 0.77 SMN1; SMN2 (0.55) SMN1; SMN2RAB9APOLBNPC1GAA
SCHEMBL3039868 0.77 SMN1; SMN2 (0.49) SMN1; SMN2GAAALDH1A1KMT2AMEN1
SCHEMBL3038427 0.77 SMN1; SMN2 (0.49) SMN1; SMN2RAB9APOLBGAAALDH1A1
SCHEMBL4462949 0.77 ALDH1A1 (0.56) SMN1; SMN2RAB9APOLBNPC1GAA

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 SMN1; SMN2 2297/4885RAB9A 375/4885POLB 746/4885

“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.