SCHEMBL311004

SCHEMBL311004

COc1cc(C#CCN2CCCCC2)ccc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.54
LMNA P02545 4/20 0.54
KDM4E B2RXH2 4/20 0.53
TDP1 Q9NUW8 2/20 0.53
GAA P10253 1/20 0.53
HPGD P15428 1/20 0.53
ALOX15 P16050 1/20 0.53
TSHR P16473 1/20 0.53
GFER P55789 1/20 0.53
SIRT6 Q8N6T7 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KMT2A Q03164 5/20 0.44
MEN1 O00255 3/20 0.44
GRM5 P41594 1/20 0.44
MAPT P10636 2/20 0.43
HTT P42858 2/20 0.42
HRH3 Q9Y5N1 1/20 0.42
TXNRD1 Q16881 1/20 0.42
PKM P14618 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL311218 0.89 SIRT6 (0.57) ALDH1A1LMNAKDM4ETDP1GAA
SCHEMBL16065141 0.87 ALDH1A1 (0.45) ALDH1A1LMNAKDM4ETDP1GAA
SCHEMBL16065140 0.82 LMNA (0.53) ALDH1A1LMNAKDM4ETDP1GAA
SCHEMBL31129843 0.81 LMNA (0.54) ALDH1A1LMNAKDM4ETDP1GAA
SCHEMBL310853 0.78 ALDH1A1 (0.46) ALDH1A1LMNAKDM4ETDP1ALOX15
SCHEMBL310521 0.78 ALDH1A1 (0.46) ALDH1A1LMNAKDM4ETDP1HPGD
SCHEMBL10290236 0.77 ALDH1A1 (0.59) ALDH1A1LMNAGAAKMT2AMEN1
SCHEMBL16065433 0.76 HRH3 (0.43) ALDH1A1LMNAKDM4ETDP1GAA
SCHEMBL2075233 0.76 ALDH1A1 (0.53) ALDH1A1LMNAKDM4ETDP1GAA
SCHEMBL12492402 0.76 ALDH1A1 (0.60) ALDH1A1LMNAKDM4ETDP1SMN1; 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 3410/4885LMNA 2828/4885KDM4E 790/4885
US-20100216779-A1 Imidazopyridine Kinase Inhibitors ABL1, MAP3K19, MAP3K5 ALDH1A1 3410/4885LMNA 2828/4885KDM4E 790/4885

“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.