SCHEMBL2662019

SCHEMBL2662019

CCOC(=O)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.67
L3MBTL1 Q9Y468 1/20 0.67
KDM4E B2RXH2 5/20 0.61
TDP1 Q9NUW8 1/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
LMNA P02545 3/20 0.61
POLB P06746 2/20 0.61
MAPK1 P28482 2/20 0.61
MAPT P10636 2/20 0.61
NPSR1 Q6W5P4 1/20 0.60
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
FAAH O00519 2/20 0.57
MGLL Q99685 2/20 0.57
HTT P42858 1/20 0.56

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
SCHEMBL7859148 0.90 ALDH1A1 (0.69) ALDH1A1L3MBTL1KDM4ETDP1SMN1; SMN2
SCHEMBL2661839 0.87 ALDH1A1 (0.60) ALDH1A1L3MBTL1KDM4ETDP1SMN1; SMN2
SCHEMBL5387829 0.86 ALDH1A1 (0.64) ALDH1A1L3MBTL1KDM4ETDP1SMN1; SMN2
SCHEMBL30024568 0.86 ALDH1A1 (0.64) ALDH1A1L3MBTL1KDM4ETDP1SMN1; SMN2
SCHEMBL2659175 0.85 ALDH1A1 (0.72) ALDH1A1L3MBTL1KDM4ETDP1SMN1; SMN2
SCHEMBL2930608 0.84 ALDH1A1 (0.71) ALDH1A1L3MBTL1KDM4ETDP1SMN1; SMN2
SCHEMBL15800712 0.83 ALDH1A1 (0.78) ALDH1A1L3MBTL1KDM4ETDP1SMN1; SMN2
SCHEMBL374227 0.82 ALDH1A1 (0.73) ALDH1A1L3MBTL1KDM4ETDP1SMN1; SMN2
SCHEMBL5781834 0.81 MAPT (0.73) ALDH1A1KDM4ESMN1; SMN2LMNAMAPK1
SCHEMBL2652152 0.80 ALDH1A1 (0.59) ALDH1A1L3MBTL1KDM4ETDP1SMN1; 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 10 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
CN-1167686-C Novel benzimidazole derivatives and pharmaceutical compsns. comprising these compounds О 2004-09-22 CN 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
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
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 (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 ALDH1A1 977/4885L3MBTL1 2878/4885KDM4E 851/4885
US-20030055055-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds GABRA1, GABRA2, GABRA4 ALDH1A1 1345/4885L3MBTL1 3108/4885KDM4E 834/4885

“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.