SCHEMBL3043010

SCHEMBL3043010

O=C(Cn1cnc2cccc([N+](=O)[O-])c21)Nc1ccc2c(c1)CCC2

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.63
MEN1 O00255 5/20 0.63
KMT2A Q03164 5/20 0.63
MAPT P10636 2/20 0.63
POLB P06746 2/20 0.62
RAB9A P51151 5/20 0.56
NPC1 O15118 4/20 0.56
SMN1; SMN2 Q16637 5/20 0.52
PKM P14618 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
USP2 O75604 2/20 0.48
KDM4E B2RXH2 1/20 0.47
MAPK1 P28482 2/20 0.45
MMP13 P45452 1/20 0.45
NOD2 Q9HC29 1/20 0.44
NOD1 Q9Y239 1/20 0.44
LMNA P02545 1/20 0.43
HTT P42858 1/20 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
SCHEMBL4973721 0.90 SMN1; SMN2 (0.51) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL3031541 0.84 KMT2A (0.67) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL3041094 0.84 MEN1 (0.67) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL3044840 0.84 MEN1 (0.67) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL4453414 0.83 MEN1 (0.66) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL3042107 0.83 SMN1; SMN2 (0.64) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL3039155 0.83 SMN1; SMN2 (0.64) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL4978408 0.83 L3MBTL1 (0.57) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL3045797 0.83 MEN1 (0.62) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL3042144 0.82 MEN1 (0.64) ALDH1A1MEN1KMT2AMAPTPOLB

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 ALDH1A1 668/4885MEN1 1947/4885KMT2A 2653/4885

“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.