SCHEMBL2931469

SCHEMBL2931469

CCOC(=O)c1c(N2CCOCC2)ccc([N+](=O)[O-])c1N

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
LMNA P02545 2/20 0.52
MAPT P10636 8/20 0.51
L3MBTL1 Q9Y468 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
CYP2C9 P11712 1/20 0.49
HPGD P15428 1/20 0.49
CYP2C19 P33261 1/20 0.49
CTSB P07858 1/20 0.47
NPC1 O15118 2/20 0.47
KMT2A Q03164 1/20 0.47
RAB9A P51151 1/20 0.46
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.45
GAA P10253 2/20 0.45
MAPK1 P28482 1/20 0.45

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
SCHEMBL2932351 0.90 POLB (0.51) ALDH1A1SMN1; SMN2MAPTL3MBTL1TDP1
SCHEMBL2924035 0.83 LGMN (0.52) ALDH1A1LMNAMAPTL3MBTL1HPGD
SCHEMBL21001133 0.78 CTSB (0.58) ALDH1A1SMN1; SMN2LMNAMAPTL3MBTL1
SCHEMBL28461688 0.76 FBP1 (0.59) ALDH1A1SMN1; SMN2LMNAMAPTL3MBTL1
SCHEMBL19677556 0.75 MAPT (0.70) ALDH1A1SMN1; SMN2LMNAMAPTCYP2C9
SCHEMBL19030131 0.75 MAPT (0.61) ALDH1A1SMN1; SMN2LMNAMAPTL3MBTL1
SCHEMBL15486296 0.75 NPC1 (0.77) ALDH1A1SMN1; SMN2LMNAL3MBTL1NPC1
SCHEMBL940019 0.74 PRKCZ (0.45) ALDH1A1SMN1; SMN2LMNAMAPTCYP2C9
SCHEMBL15808259 0.73 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2LMNAMAPTL3MBTL1
SCHEMBL14437127 0.73 L3MBTL1 (0.43) ALDH1A1SMN1; SMN2LMNAL3MBTL1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1910314-B1 BENZIMIDAZOLE DERIVATIVES FOR TREATMENT OF INFLAMMATORY DISEASES NOVARTIS AG (CH) 2010-09-15 EP disclosed
US-20080306064-A1 Benzimidazole Derivatives BROWN LYNDON NIGEL 2008-12-11 US disclosed
EP-1910314-A1 BENZIMIDAZOLE DERIVATIVES FOR TREATMENT OF INFLAMMATORY DISEASES Novartis AG (CH) 2008-04-16 EP disclosed
WO-2007009774-A1 BENZIMIDAZOLE DERIVATIVES FOR TREATMENT OF INFLAMMATORY DISEASES NOVARTIS AG (CH) 2007-01-25 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 (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-20080306064-A1 Benzimidazole Derivatives PPARG, PPARD, BRD4 ALDH1A1 767/4885SMN1; SMN2 4540/4885LMNA 1938/4885

“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.