SCHEMBL2648155

SCHEMBL2648155

COCCOC(=O)c1ccc(Cl)c([N+](=O)[O-])c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 3/20 0.57
LMNA P02545 3/20 0.57
ALDH1A1 P00352 6/20 0.56
MAPT P10636 4/20 0.56
HPGD P15428 2/20 0.56
MAPK1 P28482 2/20 0.56
RAF1 P04049 1/20 0.56
GFER P55789 1/20 0.56
PAX8 Q06710 1/20 0.56
PTGER4 P35408 1/20 0.55
RAB9A P51151 1/20 0.55
KMT2A Q03164 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.51
HSP90AA1 P07900 1/20 0.51
NPC1 O15118 1/20 0.51
MITF O75030 1/20 0.51
HTT P42858 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51

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
SCHEMBL2660151 0.86 VCAM1 (0.60) VCAM1LMNAALDH1A1MAPTHPGD
SCHEMBL17287403 0.85 ESR1 (0.61) VCAM1LMNAALDH1A1MAPTHPGD
SCHEMBL10894631 0.85 ALDH1A1 (0.56) VCAM1LMNAALDH1A1MAPTPTGER4
SCHEMBL260606 0.85 KMT2A (0.64) VCAM1LMNAALDH1A1MAPTHPGD
SCHEMBL2652569 0.84 VCAM1 (0.55) VCAM1LMNAALDH1A1MAPTHPGD
SCHEMBL2650207 0.84 VCAM1 (0.55) VCAM1LMNAALDH1A1MAPTHPGD
SCHEMBL27614903 0.84 VCAM1 (0.55) VCAM1LMNAALDH1A1MAPTHPGD
SCHEMBL10957478 0.84 MAPT (0.60) LMNAALDH1A1MAPTHPGDPTGER4
SCHEMBL28514589 0.83 ESR1 (0.69) VCAM1LMNAALDH1A1MAPTHPGD
SCHEMBL9489683 0.83 ESR1 (0.69) VCAM1LMNAALDH1A1MAPTHPGD

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1615896-B1 NOVEL BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THESE COMPOUNDS NEUROSEARCH AS (DK) 2008-04-23 EP disclosed
US-20060241101-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds NEUSEARCH A/S (DK) 2006-10-26 US disclosed
EP-1194410-B1 BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THESE COMPOUNDS NEUROSEARCH AS (DK) 2006-01-18 EP disclosed
EP-1615896-A1 NOVEL BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THESE COMPOUNDS NEUROSEARCH A/S (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
WO-2004089912-A1 NOVEL BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THESE COMPOUNDS NEUROSEARCH A/S (DK) 2004-10-21 WO 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-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
WO-2002050057-A1 NOVEL BENZIMIDAZOLE DERIVATIVES FOR THE TREATMENT OF GABA-ALPHA MEDIATED DISORDERS NEUROSEARCH A/S (DK) 2002-06-27 WO 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 (3 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-20060241101-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds GABRA2, GABRA1, GABRA5 VCAM1 3792/4885LMNA 4069/4885ALDH1A1 918/4885
US-20040097570-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds GABRA1, GABRA2, GABRA4 VCAM1 3712/4885LMNA 3526/4885ALDH1A1 977/4885
US-20030055055-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds GABRA1, GABRA2, GABRA4 VCAM1 3751/4885LMNA 3783/4885ALDH1A1 1345/4885

“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.