SCHEMBL3038519

SCHEMBL3038519

O=C(Cn1cnc2cccc([N+](=O)[O-])c21)NCc1ccccc1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
ATG4B Q9Y4P1 1/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
ALDH1A1 P00352 2/20 0.45
KMT2A Q03164 6/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
HTT P42858 1/20 0.44
LMNA P02545 1/20 0.44
FGFR1 P11362 1/20 0.44
GAA P10253 1/20 0.43
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
MEN1 O00255 3/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
PKM P14618 1/20 0.42
CYP2C19 P33261 1/20 0.42
OPRK1 P41145 1/20 0.41
P2RX7 Q99572 1/20 0.39
ATM Q13315 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
SCHEMBL27645559 0.85 CYP3A4 (0.48) MAPTL3MBTL1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL3046393 0.78 KMT2A (0.48) MAPTL3MBTL1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL4977421 0.78 KMT2A (0.48) MAPTL3MBTL1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL3034391 0.78 L3MBTL1 (0.47) MAPTATG4BL3MBTL1ALDH1A1KMT2A
SCHEMBL4974452 0.78 KMT2A (0.47) MAPTL3MBTL1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL3034821 0.77 ATG4B (0.50) MAPTATG4BL3MBTL1ALDH1A1KMT2A
SCHEMBL4976581 0.77 MAPT (0.49) MAPTL3MBTL1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL3048347 0.76 KMT2A (0.47) MAPTL3MBTL1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL4975735 0.76 ALDH1A1 (0.46) MAPTL3MBTL1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL2693379 0.76 FGFR1 (0.57) MAPTL3MBTL1ALDH1A1KMT2ASMN1; SMN2

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 MAPT 2393/4885ATG4B 2037/4885L3MBTL1 1610/4885

“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.