SCHEMBL3044258

SCHEMBL3044258

CN(C)c1cccc(NC(=O)CBr)c1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.63
▸ GAA P10253 2/20 0.63
▸ ALOX15 P16050 1/20 0.63
▸ MAPK1 P28482 1/20 0.62
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ MAPT P10636 1/20 0.54
▸ MEN1 O00255 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ BCHE P06276 1/20 0.48
▸ ACHE P22303 1/20 0.48
▸ HIF1A Q16665 1/20 0.47
▸ KCNK3 O14649 1/20 0.47
▸ LRRK2 Q5S007 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ RAB9A P51151 1/20 0.46

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
SCHEMBL3039189 0.95 ALDH1A1 (0.59) ALDH1A1GAAALOX15MAPK1SMN1; SMN2
SCHEMBL10897950 0.85 ALDH1A1 (0.65) ALDH1A1GAAALOX15MAPK1SMN1; SMN2
SCHEMBL11638744 0.84 ALDH1A1 (0.51) ALDH1A1GAAALOX15MAPK1SMN1; SMN2
SCHEMBL11694180 0.84 ALDH1A1 (0.63) ALDH1A1GAAALOX15MAPK1SMN1; SMN2
SCHEMBL7934938 0.84 ALDH1A1 (0.63) ALDH1A1GAAALOX15MAPK1SMN1; SMN2
SCHEMBL21765844 0.82 POLB (0.56) ALDH1A1GAASMN1; SMN2MAPTMEN1
SCHEMBL9850070 0.82 ALDH1A1 (0.58) ALDH1A1GAAALOX15MAPK1SMN1; SMN2
SCHEMBL11689447 0.81 ALDH1A1 (0.68) ALDH1A1GAAALOX15MAPK1SMN1; SMN2
SCHEMBL9060872 0.81 HPGD (0.68) ALDH1A1GAAALOX15MAPK1SMN1; SMN2
SCHEMBL3769612 0.81 ALDH1A1 (0.72) ALDH1A1GAAALOX15MAPK1SMN1; 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-101328150-A New benzimidazole derivatives ASTRAZENECA AB (SE) 2008-12-24 — — CN disclosed
CN-100413849-C Benzimidazole derivatives ASTRAZENECA AB (SE) 2008-08-27 — — CN 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 668/4885GAA 1172/4885ALOX15 4666/4885

“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.

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