SCHEMBL6285556

SCHEMBL6285556

CCOC(=O)N1CCN(c2cccc(Nc3ccc(-c4ccoc4)cc3[N+](=O)[O-])c2)CC1C

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.44
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
FAAH O00519 6/20 0.37
L3MBTL1 Q9Y468 1/20 0.35
MGLL Q99685 4/20 0.35
AKR1B10 O60218 1/20 0.35
AKR1B1 P15121 1/20 0.35
AKR1C4 P17516 1/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
AKR1C1 Q04828 1/20 0.35
HPGD P15428 1/20 0.35
FBP1 P09467 1/20 0.34
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL27558051 0.88 FAAH (0.40) MAPTALDH1A1LMNAFAAHMGLL
SCHEMBL2658553 0.88 MAPT (0.45) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL5780413 0.84 MGLL (0.41) MAPTALDH1A1LMNAKMT2AL3MBTL1
SCHEMBL2650269 0.80 ALK (0.46) MAPTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL5779702 0.79 MAPT (0.46) MAPTALDH1A1LMNAAKR1B10AKR1B1
SCHEMBL2658661 0.79 MAPT (0.42) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL2943448 0.78 KMT2A (0.50) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL5783848 0.77 CTSB (0.43) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL2660003 0.76 ALDH1A1 (0.44) MAPTALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL27579943 0.75 KDM4E (0.48) MAPTALDH1A1SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (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-20040097570-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds GABRA1, GABRA2, GABRA4 MAPT 906/4885ALDH1A1 977/4885LMNA 3526/4885

“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.