SCHEMBL2662545

SCHEMBL2662545

CCN(CC)C(=O)CN1CCN(c2cccc([N+](=O)[O-])c2)CC1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 1/20 0.50
HTR7 P34969 1/20 0.49
MDM2 Q00987 1/20 0.48
ENPP2 Q13822 4/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
POLB P06746 1/20 0.47
MGLL Q99685 1/20 0.46
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
DRD3 P35462 1/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL2662051 0.84 MGLL (0.58) ALDH1A1ENPP2LMNASMN1; SMN2POLB
SCHEMBL2658558 0.83 POLB (0.56) KDM4EALDH1A1HTR7ENPP2LMNA
SCHEMBL2658565 0.83 POLB (0.56) KDM4EALDH1A1HTR7ENPP2LMNA
SCHEMBL2658444 0.82 POLB (0.52) KDM4EALDH1A1ENPP2LMNASMN1; SMN2
SCHEMBL2661783 0.82 ALDH1A1 (0.55) KDM4EALDH1A1MDM2LMNASMN1; SMN2
SCHEMBL1126076 0.81 MAPT (0.60) KDM4EALDH1A1HTR7ENPP2LMNA
SCHEMBL2661929 0.78 SMN1; SMN2 (0.57) HTR7ENPP2LMNASMN1; SMN2POLB
SCHEMBL5783473 0.78 ENPP2 (0.51) ALDH1A1ENPP2LMNASMN1; SMN2POLB
SCHEMBL3055880 0.77 MGLL (0.56) ALDH1A1HTR7ENPP2LMNASMN1; SMN2
SCHEMBL5781834 0.77 MAPT (0.73) KDM4EALDH1A1ENPP2LMNASMN1; 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 7 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
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 KDM4E 851/4885ALDH1A1 977/4885HTR7 2186/4885
US-20030055055-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds GABRA1, GABRA2, GABRA4 KDM4E 834/4885ALDH1A1 1345/4885HTR7 2008/4885

“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.