SCHEMBL310240

SCHEMBL310240

C=CCc1cc(F)ccc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
SNCA P37840 4/20 0.43
ALDH1A1 P00352 6/20 0.42
MAPT P10636 3/20 0.42
MAPK1 P28482 1/20 0.42
GABRA1 P14867 1/20 0.41
GABRB2 P47870 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.39
KMT2A Q03164 2/20 0.39
HTT P42858 2/20 0.38
HSPB1 P04792 2/20 0.38
HCAR3 P49019 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
PDE7A Q13946 1/20 0.37
POLB P06746 1/20 0.37
TSHR P16473 1/20 0.36
HIF1A Q16665 1/20 0.36
ALDH3A1 P30838 1/20 0.35
RIPK1 Q13546 1/20 0.35

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
SCHEMBL4647436 0.85 ATM (0.55) ATMTDP1SNCAALDH1A1MAPT
SCHEMBL26931230 0.84 TDP1 (0.50) ATMTDP1SNCAALDH1A1MAPT
SCHEMBL11789708 0.81 ALDH1A1 (0.44) SNCAALDH1A1MAPTGABRA1GABRB2
SCHEMBL29362511 0.79 TDP1 (0.60) ATMTDP1SNCAALDH1A1MAPT
SCHEMBL310839 0.79 TDP1 (0.60) ATMTDP1SNCAALDH1A1MAPT
SCHEMBL27780316 0.78 TDP1 (0.55) ATMTDP1SNCAALDH1A1MAPT
SCHEMBL9001712 0.78 MEN1 (0.48) ATMTDP1SNCAALDH1A1MAPT
SCHEMBL425321 0.78 CASP6 (0.60) HCAR3POLBTSHR
SCHEMBL6445118 0.78 GABRA1 (0.47) TDP1SNCAALDH1A1MAPTMAPK1
SCHEMBL2891144 0.77 TDP1 (0.58) ATMTDP1SNCAALDH1A1MAPT

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 14 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
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-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
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
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
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 ATM 724/4885TDP1 1064/4885SNCA 3799/4885
US-20100216779-A1 Imidazopyridine Kinase Inhibitors ABL1, MAP3K19, MAP3K5 ATM 724/4885TDP1 1064/4885SNCA 3799/4885

“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.