SCHEMBL2651968

SCHEMBL2651968

COC(=O)c1ccc(Nc2cccc(Cc3ncc[nH]3)c2)c([N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.49
AKR1C4 P17516 2/20 0.49
AKR1C3 P42330 2/20 0.49
AKR1C2 P52895 2/20 0.49
AKR1C1 Q04828 2/20 0.49
HPGD P15428 2/20 0.49
AKR1B10 O60218 1/20 0.45
AKR1B1 P15121 1/20 0.45
KMT2A Q03164 3/20 0.45
HCAR3 P49019 1/20 0.44
LMNA P02545 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HTT P42858 1/20 0.44
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 1/20 0.42
ATM Q13315 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL2652144 0.88 MAPT (0.42) MAPTAKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL15021452 0.78 MAPT (0.63) MAPTAKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL2651961 0.76 ALDH1A1 (0.51) MAPTAKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL12089421 0.75 HCAR3 (0.75) MAPTAKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL23675257 0.75 MAPT (0.61) MAPTAKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL11529396 0.75 MAPT (0.61) MAPTAKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL8233274 0.75 MAPT (0.61) MAPTAKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL13063908 0.75 MAPT (0.61) MAPTAKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL2653630 0.75 KMT2A (0.60) MAPTAKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL2652728 0.74 CDC25B (0.39) MAPTHPGDSMN1; SMN2L3MBTL1ALDH1A1

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 906/4885AKR1C4 637/4885AKR1C3 456/4885
US-20030055055-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds GABRA1, GABRA2, GABRA4 MAPT 981/4885AKR1C4 702/4885AKR1C3 503/4885

“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.