SCHEMBL2652569

SCHEMBL2652569

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

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 2/20 0.55
KMT2A Q03164 2/20 0.53
ALDH1A1 P00352 4/20 0.52
HPGD P15428 2/20 0.52
HSP90AA1 P07900 1/20 0.52
MAPT P10636 4/20 0.51
LMNA P02545 3/20 0.51
MAPK1 P28482 3/20 0.51
RAF1 P04049 1/20 0.51
GFER P55789 1/20 0.51
PAX8 Q06710 1/20 0.51
HTT P42858 3/20 0.49
NPSR1 Q6W5P4 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 2/20 0.49
MITF O75030 2/20 0.49
AGTR1 P30556 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
SCHEMBL2648155 0.84 VCAM1 (0.57) VCAM1KMT2AALDH1A1HPGDHSP90AA1
SCHEMBL2660151 0.84 VCAM1 (0.60) VCAM1KMT2AALDH1A1HPGDHSP90AA1
SCHEMBL17287403 0.83 ESR1 (0.61) VCAM1KMT2AALDH1A1HPGDMAPT
SCHEMBL260606 0.82 KMT2A (0.64) VCAM1KMT2AALDH1A1HPGDMAPT
SCHEMBL27614903 0.82 VCAM1 (0.55) VCAM1KMT2AALDH1A1HPGDHSP90AA1
SCHEMBL2650207 0.82 VCAM1 (0.55) VCAM1KMT2AALDH1A1HPGDMAPT
SCHEMBL18134964 0.81 ESR1 (0.69) VCAM1KMT2AALDH1A1HPGDMAPT
SCHEMBL9489683 0.81 ESR1 (0.69) VCAM1KMT2AALDH1A1HPGDMAPT
SCHEMBL28514589 0.81 ESR1 (0.69) VCAM1KMT2AALDH1A1HPGDMAPT
SCHEMBL11732852 0.79 VCAM1 (0.57) VCAM1KMT2AALDH1A1HPGDHSP90AA1

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 VCAM1 3712/4885KMT2A 1116/4885ALDH1A1 977/4885
US-20030055055-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds GABRA1, GABRA2, GABRA4 VCAM1 3751/4885KMT2A 1597/4885ALDH1A1 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.