SCHEMBL5779277

SCHEMBL5779277

N#CCN1CCN(c2cccc([N+](=O)[O-])c2)CC1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.52
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
HTR7 P34969 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HPN P05981 1/20 0.48
ENPP2 Q13822 4/20 0.47
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 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 0.82 MAPT (0.60) MAPTKDM4EMEN1KMT2AHTR7
SCHEMBL31232720 0.80 HTR7 (0.56) MAPTKDM4EMEN1KMT2AHTR7
SCHEMBL520396 0.80 HTR7 (0.56) MAPTKDM4EMEN1KMT2AHTR7
SCHEMBL5165090 0.80 MAPT (0.54) MAPTKDM4EMEN1KMT2AHTR7
SCHEMBL2627249 0.79 MAPT (0.69) MAPTKDM4EMEN1KMT2AHTR7
SCHEMBL2658558 0.78 POLB (0.56) MAPTKDM4EMEN1KMT2AHTR7
Hydrochloric Acid SCHEMBL31232759 0.78 HTR7 (0.58) MAPTKDM4EMEN1KMT2AHTR7
SCHEMBL2659435 0.78 L3MBTL1 (0.61) MAPTKDM4EMEN1KMT2AL3MBTL1
SCHEMBL2658565 0.78 POLB (0.56) MAPTKDM4EMEN1KMT2AHTR7
SCHEMBL533010 0.78 MAPT (0.66) MAPTKDM4EMEN1KMT2AL3MBTL1

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
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
CN-1356987-A Novel benzimidazole derivatives and pharmaceutical compsns. comprising these compounds NEUROSEARCH AS (DK) 2002-07-03 CN 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 906/4885KDM4E 851/4885MEN1 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.