SCHEMBL2656495

SCHEMBL2656495

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
MAPK1 P28482 3/20 0.48
LMNA P02545 3/20 0.48
GAA P10253 1/20 0.48
HPGD P15428 1/20 0.48
POLB P06746 1/20 0.47
MAPT P10636 6/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
NPC1 O15118 1/20 0.46
PKM P14618 1/20 0.46
GFER P55789 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
MET P08581 1/20 0.44
HTT P42858 1/20 0.44
MEN1 O00255 1/20 0.44

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
SCHEMBL2648721 0.89 MAPT (0.50) ALDH1A1L3MBTL1MAPK1LMNAGAA
SCHEMBL2654223 0.87 AKR1C3 (0.60) ALDH1A1L3MBTL1MAPK1GAAHPGD
SCHEMBL2654496 0.86 MAPT (0.47) ALDH1A1L3MBTL1MAPK1LMNAGAA
SCHEMBL2649234 0.86 MAPT (0.52) ALDH1A1MAPK1LMNAGAAHPGD
SCHEMBL2655113 0.86 AKR1B1 (0.59) L3MBTL1MAPK1LMNAMAPTHTT
SCHEMBL2654528 0.84 MAPT (0.48) ALDH1A1L3MBTL1MAPK1LMNAGAA
SCHEMBL2654961 0.84 AKR1C3 (0.47) ALDH1A1HPGDPOLBMAPTMET
SCHEMBL2654638 0.84 MAPT (0.46) ALDH1A1L3MBTL1MAPK1LMNAGAA
SCHEMBL2653555 0.83 NPC1 (0.49) ALDH1A1LMNAGAAHPGDMAPT
SCHEMBL27466511 0.81 MAPT (0.44) ALDH1A1LMNAPOLBMAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090062304-A1 Benzimidazole derivatives and their use for modulating the gaba-alpha receptor complex NEUROSEARCH A/S (DK) 2009-03-05 US disclosed
US-20090062304-A1 Benzimidazole derivatives and their use for modulating the gaba-alpha receptor complex NEUROSEARCH A/S (DK) 2009-03-05 US disclosed
EP-1874735-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2008-01-09 EP disclosed
WO-2006111517-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2006-10-26 WO disclosed
WO-2006111517-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2006-10-26 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-20090062304-A1 Benzimidazole derivatives and their use for modulating the gaba-alpha receptor complex GABRB1, GABRB2, GABRB3 ALDH1A1 514/4885L3MBTL1 3678/4885MAPK1 3759/4885

“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.