SCHEMBL2498853

SCHEMBL2498853

COCCNc1c(OC)cccc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.53
TDP1 Q9NUW8 1/20 0.53
LMNA P02545 2/20 0.52
MAPT P10636 5/20 0.48
L3MBTL1 Q9Y468 4/20 0.48
HTR1A P08908 2/20 0.46
ADRA1D P25100 2/20 0.46
ADRA1A P35348 2/20 0.46
ADRA1B P35368 2/20 0.46
HCAR3 P49019 1/20 0.46
KMT2A Q03164 4/20 0.45
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MEN1 O00255 2/20 0.44
GAA P10253 2/20 0.44
RECQL P46063 1/20 0.44
MAPK1 P28482 4/20 0.44
KDM4E B2RXH2 1/20 0.43
G6PD P11413 1/20 0.43

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
SCHEMBL20797607 0.88 ALDH1A1 (0.49) ALDH1A1TDP1LMNAMAPTL3MBTL1
SCHEMBL5157517 0.86 ALDH1A1 (0.53) ALDH1A1TDP1MAPTL3MBTL1HTR1A
SCHEMBL20797772 0.85 KMT2A (0.47) ALDH1A1TDP1LMNAMAPTL3MBTL1
SCHEMBL14249377 0.84 ALDH1A1 (0.57) ALDH1A1TDP1LMNAMAPTL3MBTL1
SCHEMBL31700569 0.83 LMNA (0.52) ALDH1A1LMNAMAPTL3MBTL1HCAR3
SCHEMBL17243849 0.81 LMNA (0.50) ALDH1A1TDP1LMNAMAPTL3MBTL1
SCHEMBL13554669 0.81 LMNA (0.50) ALDH1A1TDP1LMNAMAPTL3MBTL1
SCHEMBL24853732 0.80 ALDH1A1 (0.47) ALDH1A1TDP1LMNAMAPTL3MBTL1
SCHEMBL29617958 0.80 ALDH1A1 (0.47) ALDH1A1TDP1LMNAMAPTL3MBTL1
SCHEMBL23273490 0.80 MEN1 (0.52) ALDH1A1LMNAMAPTL3MBTL1HCAR3

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
US-8030497-B2 Benzimidazole derivatives NOVARTIS AG (CH) 2011-10-04 US disclosed
US-8030497-B2 Benzimidazole derivatives NOVARTIS AG (CH) 2011-10-04 US disclosed
US-20090170921-A1 Benzimidazole derivatives NOVARTIS AG (CH) 2009-07-02 US disclosed
US-20090170921-A1 Benzimidazole derivatives NOVARTIS AG (CH) 2009-07-02 US disclosed
EP-1709006-A1 BENZIMIDAZOLE DERIVATIVES Novartis AG (CH) 2006-10-11 EP disclosed
WO-2005068433-A9 BENZIMIDAZOLE DERIVATIVES NOVARTIS AG (CH) 2005-09-15 WO disclosed
WO-2005068433-A1 BENZIMIDAZOLE DERIVATIVES NOVARTIS AG (CH) 2005-07-28 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 (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-20090170921-A1 Benzimidazole derivatives CYP3A7, UGT2B7, CYP2B6 ALDH1A1 208/4885TDP1 3197/4885LMNA 3162/4885

“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.