SCHEMBL3041741

SCHEMBL3041741

O=C(Cn1cnc2cccc([N+](=O)[O-])c21)Nc1cccc(OC(F)(F)C(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
PKM P14618 1/20 0.50
ALDH1A1 P00352 1/20 0.43
EPHX2 P34913 1/20 0.42
ERO1A Q96HE7 1/20 0.42
AKT1 P31749 1/20 0.41
LMNA P02545 2/20 0.40
HTT P42858 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
MAPT P10636 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
GAA P10253 1/20 0.40
POLB P06746 1/20 0.39
CETP P11597 1/20 0.39

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
SCHEMBL3039687 0.92 SMN1; SMN2 (0.52) SMN1; SMN2L3MBTL1PKMALDH1A1ERO1A
SCHEMBL3043039 0.91 SMN1; SMN2 (0.53) SMN1; SMN2L3MBTL1PKMALDH1A1ERO1A
SCHEMBL4456795 0.85 SMN1; SMN2 (0.55) SMN1; SMN2L3MBTL1PKMALDH1A1LMNA
SCHEMBL3035054 0.84 SMN1; SMN2 (0.56) SMN1; SMN2L3MBTL1PKMALDH1A1ERO1A
SCHEMBL3039800 0.84 SMN1; SMN2 (0.54) SMN1; SMN2L3MBTL1PKMALDH1A1ERO1A
SCHEMBL3043122 0.84 HPGD (0.50) SMN1; SMN2L3MBTL1PKMLMNAHTT
SCHEMBL3037886 0.83 RXFP1 (0.57) SMN1; SMN2L3MBTL1PKMALDH1A1LMNA
SCHEMBL4974115 0.82 SMN1; SMN2 (0.52) SMN1; SMN2L3MBTL1PKMALDH1A1ERO1A
SCHEMBL2694208 0.82 TRPV1 (0.49) ALDH1A1
SCHEMBL3042892 0.81 SMN1; SMN2 (0.49) SMN1; SMN2L3MBTL1PKMALDH1A1LMNA

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 10 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
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

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 2297/4885L3MBTL1 1610/4885PKM 106/4885

“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.