SCHEMBL310109

SCHEMBL310109

C=Cc1cc(OC)c([N+](=O)[O-])cc1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
MAPT P10636 2/20 0.51
KDM4E B2RXH2 1/20 0.51
CYP3A4 P08684 1/20 0.51
ALOX15 P16050 1/20 0.51
PRKDC P78527 1/20 0.51
HSD17B10 Q99714 1/20 0.51
TDP1 Q9NUW8 2/20 0.41
TUBB4A P04350 2/20 0.40
TUBB P07437 2/20 0.40
TUBA3C P0DPH7 2/20 0.40
TUBA1B P68363 2/20 0.40
TUBA4A P68366 2/20 0.40
TUBB4B P68371 2/20 0.40
TUBB3 Q13509 2/20 0.40
TUBB2A Q13885 2/20 0.40
TUBB8 Q3ZCM7 2/20 0.40
TUBA3E Q6PEY2 2/20 0.40
TUBA1A Q71U36 2/20 0.40
TUBA1C Q9BQE3 2/20 0.40

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
SCHEMBL21981233 0.94 ALDH1A1 (0.47) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL16370854 0.83 ALDH1A1 (0.53) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL12322918 0.83 ALDH1A1 (0.57) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL29661436 0.81 ALDH1A1 (0.50) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL517768 0.81 ALDH1A1 (0.50) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL2589872 0.81 ALDH1A1 (0.51) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL9838976 0.80 ALDH1A1 (0.72) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL30954094 0.80 ALDH1A1 (0.48) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL6371735 0.80 ALDH1A1 (0.48) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL5210790 0.79 ALDH1A1 (0.61) ALDH1A1MAPTKDM4ECYP3A4ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101932580-B Imidazopyridine kinase inhibitors GLAXOSMITHKLINE LLC 2013-05-22 CN disclosed
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
CN-101932580-A Imidazopyridine kinase inhibitors GLAXOSMITHKLINE LLC 2010-12-29 CN 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 ALDH1A1 3410/4885MAPT 2367/4885KDM4E 790/4885
US-20100216779-A1 Imidazopyridine Kinase Inhibitors ABL1, MAP3K19, MAP3K5 ALDH1A1 3410/4885MAPT 2367/4885KDM4E 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.