SCHEMBL4008566

SCHEMBL4008566

COc1cccc(S(=O)(=O)NCCN2CCOCC2)c1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.67
NPSR1 Q6W5P4 1/20 0.67
ALDH1A1 P00352 3/20 0.63
MAPK1 P28482 2/20 0.63
MAPT P10636 1/20 0.59
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
TDP1 Q9NUW8 1/20 0.57
PIK3CA P42336 1/20 0.57
MTOR P42345 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.56

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
SCHEMBL1361813 0.84 ALDH1A1 (0.64) POLBNPSR1ALDH1A1MAPK1CYP2C19
SCHEMBL1346829 0.81 L3MBTL1 (0.65) POLBALDH1A1MAPK1TDP1SMN1; SMN2
SCHEMBL3997072 0.81 ALDH1A1 (0.64) POLBALDH1A1MAPK1CYP2C19TDP1
SCHEMBL3719058 0.81 PKM (0.69) POLBALDH1A1MAPK1
Hydrochloric Acid SCHEMBL7966700 0.81 L3MBTL1 (0.63) POLBALDH1A1MAPK1TDP1SMN1; SMN2
SCHEMBL4618073 0.81 ALDH1A1 (0.62) POLBNPSR1ALDH1A1MAPK1TDP1
SCHEMBL5813426 0.78 ALDH1A1 (0.87) POLBALDH1A1MAPK1MAPTPIK3CA
SCHEMBL19359340 0.77 L3MBTL1 (0.50) POLBNPSR1ALDH1A1MAPT
SCHEMBL29923049 0.77 L3MBTL1 (0.50) POLBNPSR1ALDH1A1MAPT
SCHEMBL4616589 0.77 SMN1; SMN2 (0.69) POLBNPSR1ALDH1A1MAPK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7547779-B2 Preparation of 1,6-disubstituted azabenzimidazoles as kinase inhibitors GLAXO GROUP LIMITED (GB) 2009-06-16 US disclosed
US-20080234261-A1 Preparation of 1,6-Disubstituted Azabenzimidazoles as Kinase Inhibitors GLAXOSMITHKLINE LLC 2008-09-25 US 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-20080234261-A1 Preparation of 1,6-Disubstituted Azabenzimidazoles as Kinase Inhibitors TNK2, ROCK1, ARHGDIB POLB 1713/4885NPSR1 4337/4885ALDH1A1 4395/4885

“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.