SCHEMBL5779702

SCHEMBL5779702

CC(C)(C)OC(=O)N1CCN(c2cccc(Nc3ccc(-c4ccoc4)cc3[N+](=O)[O-])c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
JAK2 O60674 3/20 0.46
JAK3 P52333 3/20 0.46
PTK2 Q05397 2/20 0.46
GPR119 Q8TDV5 4/20 0.43
BCL2 P10415 1/20 0.41
BCL2L1 Q07817 1/20 0.41
MET P08581 2/20 0.41
ADORA2A P29274 1/20 0.39
NAMPT P43490 1/20 0.38
FBP1 P09467 1/20 0.38
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
AKR1B1 P15121 2/20 0.37
AKR1C4 P17516 2/20 0.37
AKR1C3 P42330 2/20 0.37
AKR1C2 P52895 2/20 0.37
AKR1C1 Q04828 2/20 0.37

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 0.89 MAPT (0.45) MAPTALDH1A1LMNA
SCHEMBL5779752 0.87 JAK2 (0.46) MAPTALDH1A1LMNAJAK2JAK3
SCHEMBL2650269 0.84 ALK (0.46) MAPTALDH1A1JAK2JAK3PTK2
SCHEMBL5781737 0.82 MAPT (0.49) MAPTALDH1A1LMNAJAK2JAK3
SCHEMBL5780413 0.81 MGLL (0.41) MAPTALDH1A1LMNAMETFBP1
SCHEMBL5783408 0.79 BCL2 (0.48) MAPTALDH1A1LMNAJAK2JAK3
SCHEMBL6285556 0.79 MAPT (0.44) MAPTALDH1A1LMNAFBP1AKR1B1
SCHEMBL5783848 0.77 CTSB (0.43) MAPTALDH1A1LMNAHPGD
SCHEMBL2644364 0.77 L3MBTL1 (0.40) MAPTALDH1A1LMNAAKR1B1AKR1C4
SCHEMBL2660003 0.76 ALDH1A1 (0.44) MAPTALDH1A1LMNAHPGD

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 MAPT 906/4885ALDH1A1 977/4885LMNA 3526/4885
US-20030055055-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds GABRA1, GABRA2, GABRA4 MAPT 981/4885ALDH1A1 1345/4885LMNA 3783/4885

“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.