SCHEMBL310853

SCHEMBL310853

COc1cc(C#CCO)ccc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
TDP1 Q9NUW8 1/20 0.46
LMNA P02545 2/20 0.46
SIRT6 Q8N6T7 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
P2RY6 Q15077 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
CHEK1 O14757 5/20 0.41
TTR P02766 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
PRKDC P78527 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL310521 0.85 ALDH1A1 (0.46) ALDH1A1TDP1LMNASIRT6L3MBTL1
SCHEMBL2725343 0.80 ALDH1A1 (0.53) ALDH1A1TDP1LMNASIRT6L3MBTL1
SCHEMBL1063282 0.79 TDP1 (0.50) ALDH1A1TDP1LMNASIRT6L3MBTL1
SCHEMBL29199363 0.79 P2RY6 (0.43) ALDH1A1P2RY6MAPT
SCHEMBL17471721 0.79 TSHR (0.47) ALDH1A1LMNAP2RY6SMN1; SMN2NPC1
SCHEMBL16952936 0.78 ALDH1A1 (0.51) ALDH1A1TDP1LMNASIRT6L3MBTL1
SCHEMBL224136 0.78 VCAM1 (0.54) ALDH1A1TDP1LMNASIRT6L3MBTL1
SCHEMBL311004 0.78 ALDH1A1 (0.54) ALDH1A1TDP1LMNASIRT6L3MBTL1
SCHEMBL29149590 0.77 ACACB (0.44) L3MBTL1CYP3A4MAPTHSD17B10
SCHEMBL4520641 0.77 P2RY6 (0.40) ALDH1A1LMNAL3MBTL1P2RY6SMN1; 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2162454-B1 IMIDAZOPYRIDINE KINASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-01-02 EP disclosed
US-8093239-B2 Imidazopyridine kinase inhibitors GLAXOSMITHKLINE LLC (US) 2012-01-10 US disclosed
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
US-20100216779-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2010-08-26 US disclosed
EP-2162454-A1 IMIDAZOPYRIDINE KINASE INHIBITORS GlaxoSmithKline LLC (US) 2010-03-17 EP 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
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 3410/4885TDP1 1064/4885LMNA 2828/4885
US-20100216779-A1 Imidazopyridine Kinase Inhibitors ABL1, MAP3K19, MAP3K5 ALDH1A1 3410/4885TDP1 1064/4885LMNA 2828/4885

“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.