SCHEMBL5780413

SCHEMBL5780413

CCOC(=O)CN1CCN(c2cccc(Nc3ccc(-c4ccoc4)cc3[N+](=O)[O-])c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 9/20 0.41
ALDH1A1 P00352 3/20 0.40
KMT2A Q03164 1/20 0.40
MET P08581 1/20 0.39
BACE1 P56817 1/20 0.39
LMNA P02545 3/20 0.37
MAPT P10636 2/20 0.37
FBP1 P09467 1/20 0.37
TSHR P16473 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
DRD4 P21917 1/20 0.36

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
SCHEMBL2658553 0.90 MAPT (0.45) MGLLALDH1A1KMT2ALMNAMAPT
SCHEMBL5783046 0.89 LMNA (0.37) ALDH1A1KMT2AMETBACE1LMNA
SCHEMBL5781905 0.87 BACE1 (0.41) ALDH1A1BACE1LMNAMAPTTSHR
SCHEMBL6285556 0.84 MAPT (0.44) MGLLALDH1A1KMT2ALMNAMAPT
SCHEMBL2650269 0.83 ALK (0.46) ALDH1A1KMT2AMAPTL3MBTL1SMN1; SMN2
SCHEMBL2662423 0.83 LMNA (0.48) MGLLALDH1A1KMT2ALMNAMAPT
SCHEMBL5779702 0.81 MAPT (0.46) ALDH1A1METLMNAMAPTFBP1
SCHEMBL5783848 0.80 CTSB (0.43) MGLLALDH1A1KMT2ALMNAMAPT
SCHEMBL2943448 0.80 KMT2A (0.50) ALDH1A1KMT2ALMNAMAPTKDM4E
SCHEMBL2658661 0.77 MAPT (0.42) ALDH1A1KMT2ALMNAMAPTL3MBTL1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1194410-B1 BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THESE COMPOUNDS NEUROSEARCH AS (DK) 2006-01-18 EP disclosed
US-6936613-B2 Benzimidazole derivatives and pharmaceutical compositions comprising these compounds NEUROSEARCH A/S (DK) 2005-08-30 US disclosed
US-20040097570-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds NEUROSEARCH A/S 2004-05-20 US disclosed
US-6649609-B2 For inducing and maintaining anesthesia, sedation and muscle relaxation, as well as for combating febrile convulsions in children NEUROSEARCH A/S (DK) 2003-11-18 US disclosed
US-20030055055-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds ANIONA APS (DK) 2003-03-20 US disclosed
CN-1356987-A Novel benzimidazole derivatives and pharmaceutical compsns. comprising these compounds NEUROSEARCH AS (DK) 2002-07-03 CN 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 (2 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-20040097570-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds GABRA1, GABRA2, GABRA4 MGLL 4505/4885ALDH1A1 977/4885KMT2A 1116/4885
US-20030055055-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds GABRA1, GABRA2, GABRA4 MGLL 4375/4885ALDH1A1 1345/4885KMT2A 1597/4885

“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.