SCHEMBL2659342

SCHEMBL2659342

CCN1CCCN(c2cccc([N+](=O)[O-])c2)CC1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.55
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
KDM4E B2RXH2 1/20 0.51
LMNA P02545 2/20 0.51
HTR7 P34969 1/20 0.51
CHRNA7 P36544 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
ALDH1A1 P00352 2/20 0.48
ENPP2 Q13822 1/20 0.47

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
SCHEMBL1126076 0.95 MAPT (0.60) MAPTMEN1KMT2AKDM4ELMNA
SCHEMBL15272176 0.86 MAPT (0.66) MAPTMEN1KMT2AKDM4ELMNA
SCHEMBL533010 0.83 MAPT (0.66) MAPTMEN1KMT2AKDM4ELMNA
SCHEMBL6360154 0.82 LMNA (0.69) MAPTMEN1KMT2AKDM4ELMNA
SCHEMBL20557972 0.81 MAPT (0.64) MAPTMEN1KMT2AKDM4ELMNA
SCHEMBL2648360 0.81 MAPT (0.64) MAPTMEN1KMT2AKDM4ELMNA
SCHEMBL30198400 0.79 SIRT6 (0.66) MAPTMEN1KMT2AKDM4ELMNA
SCHEMBL1203455 0.79 SIRT6 (0.66) MAPTMEN1KMT2AKDM4ELMNA
SCHEMBL14220881 0.79 HTR7 (0.54) MAPTMEN1KMT2AKDM4EHTR7
SCHEMBL5165090 0.78 MAPT (0.54) MAPTMEN1KMT2AKDM4ELMNA

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 MAPT 906/4885MEN1 4632/4885KMT2A 1116/4885
US-20030055055-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds GABRA1, GABRA2, GABRA4 MAPT 981/4885MEN1 4691/4885KMT2A 1597/4885

“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.