SCHEMBL3133370

SCHEMBL3133370

CCC[n+]1ccc(-c2cc(OC)c([N+](=O)[O-])cc2C)cc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.39
LMNA P02545 5/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
TDP1 Q9NUW8 2/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
SIRT6 Q8N6T7 1/20 0.36
PTBP1 P26599 1/20 0.36
TTR P02766 1/20 0.36
CHEK1 O14757 1/20 0.36

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
Iodide SCHEMBL310436 0.99 LMNA (0.39) ALDH1A1LMNASMN1; SMN2TDP1MAPT
SCHEMBL26378710 0.84 ALDH1A1 (0.41) ALDH1A1LMNASMN1; SMN2TDP1MAPT
SCHEMBL10266656 0.81 CHEK1 (0.47) ALDH1A1LMNATDP1SIRT6CHEK1
Iodide SCHEMBL309744 0.80 CHEK1 (0.47) ALDH1A1LMNATDP1SIRT6CHEK1
SCHEMBL311684 0.78 KMT2A (0.48) ALDH1A1LMNATDP1MAPTL3MBTL1
SCHEMBL23759811 0.72 SIRT6 (0.66) ALDH1A1LMNAMAPTMAPK1L3MBTL1
SCHEMBL8089043 0.71 ALDH1A1 (0.52) ALDH1A1LMNASMN1; SMN2TDP1MAPT
SCHEMBL12236959 0.71 PDK1 (0.41) ALDH1A1LMNASMN1; SMN2TDP1MAPT
SCHEMBL12428994 0.71 CHEK1 (0.45) ALDH1A1LMNATDP1L3MBTL1MEN1
SCHEMBL12429002 0.71 ABCB1 (0.46) ALDH1A1LMNASMN1; SMN2TDP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093239-B2 Imidazopyridine kinase inhibitors GLAXOSMITHKLINE LLC (US) 2012-01-10 US disclosed
US-20100216779-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2010-08-26 US disclosed
WO-2010045451-A1 PYRROLOPYRIMIDINE COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-04-22 WO disclosed
WO-2010045451-A1 PYRROLOPYRIMIDINE COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-04-22 WO disclosed
WO-2008150799-A1 IMIDAZOPYRIDINE KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-11 WO disclosed
US-20080300242-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2008-12-04 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 (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-20080300242-A1 Imidazopyridine Kinase Inhibitors ABL1, MAP3K19, MAP3K5 ALDH1A1 3410/4885LMNA 2828/4885SMN1; SMN2 2982/4885
US-20100216779-A1 Imidazopyridine Kinase Inhibitors ABL1, MAP3K19, MAP3K5 ALDH1A1 3410/4885LMNA 2828/4885SMN1; SMN2 2982/4885

“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.