SCHEMBL2648201

SCHEMBL2648201

CCOC(=O)CN1CC=C(c2cccc([N+](=O)[O-])c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.48
RAB9A P51151 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
ALDH1A1 P00352 5/20 0.45
MAPK1 P28482 1/20 0.45
PPARG P37231 1/20 0.45
LMNA P02545 3/20 0.44
KDM4E B2RXH2 4/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
GLO1 Q04760 1/20 0.42
IRAK1 P51617 1/20 0.42
IRAK4 Q9NWZ3 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL10036180 0.83 ADAM10 (0.47) MAPTRAB9AKMT2ASLC6A4ALDH1A1
SCHEMBL2660796 0.83 MAPT (0.48) MAPTRAB9AMEN1KMT2AALDH1A1
SCHEMBL2661735 0.78 QDPR (0.57) MAPTRAB9AMEN1KMT2ASLC6A4
SCHEMBL2662766 0.77 SLC6A4 (0.55) MAPTRAB9AKMT2ASLC6A4MAPK1
SCHEMBL31398127 0.77 SLC6A4 (0.55) MAPTRAB9AKMT2ASLC6A4MAPK1
SCHEMBL5661850 0.76 POLB (0.53) MAPTLMNAKDM4ESMN1; SMN2
SCHEMBL5661842 0.76 POLB (0.53) MAPTLMNAKDM4ESMN1; SMN2
SCHEMBL5661203 0.76 ALDH1A1 (0.47) MAPTRAB9AMEN1KMT2AALDH1A1
SCHEMBL5661197 0.76 ALDH1A1 (0.47) MAPTRAB9AMEN1KMT2AALDH1A1
SCHEMBL2640379 0.75 MAPT (0.41) MAPTALDH1A1

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
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-20040097570-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds NEUROSEARCH A/S 2004-05-20 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
WO-2002050057-A1 NOVEL BENZIMIDAZOLE DERIVATIVES FOR THE TREATMENT OF GABA-ALPHA MEDIATED DISORDERS NEUROSEARCH A/S (DK) 2002-06-27 WO disclosed
EP-1194410-A1 BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THESE COMPOUNDS NEUROSEARCH A/S (DK) 2002-04-10 EP disclosed
WO-2000078728-A1 NOVEL BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THESE COMPOUNDS NEUROSEARCH A/S (DK) 2000-12-28 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-20040097570-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds GABRA1, GABRA2, GABRA4 MAPT 906/4885RAB9A 3221/4885MEN1 4632/4885

“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.