SCHEMBL310251

SCHEMBL310251

COc1cc(CCN2CCCCC2)c(F)cc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.48
HRH3 Q9Y5N1 1/20 0.46
ALDH1A1 P00352 6/20 0.45
MAPT P10636 4/20 0.45
LMNA P02545 3/20 0.45
CYP2D6 P10635 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
GAA P10253 1/20 0.45
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAPK1 P28482 1/20 0.42
HTR1A P08908 1/20 0.42
TXNRD1 Q16881 1/20 0.42

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
SCHEMBL310227 0.88 KMT2A (0.51) SMN1; SMN2ALDH1A1MAPTLMNACYP2D6
SCHEMBL311021 0.78 HTR2A (0.57) HTR2AHRH3ALDH1A1CYP2D6HTR1A
SCHEMBL18159251 0.78 HRH3 (0.55) HTR2ASMN1; SMN2HRH3ALDH1A1LMNA
SCHEMBL24179120 0.77 ALDH1A1 (0.51) SMN1; SMN2ALDH1A1CYP2D6L3MBTL1
SCHEMBL2228868 0.76 ALDH1A1 (0.58) HTR2ASMN1; SMN2HRH3ALDH1A1LMNA
SCHEMBL2033540 0.74 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1MAPTLMNACYP2D6
SCHEMBL2033958 0.74 TTR (0.45) SMN1; SMN2ALDH1A1MAPTLMNACYP2D6
SCHEMBL517768 0.72 ALDH1A1 (0.50) ALDH1A1MAPTLMNAL3MBTL1
SCHEMBL29661436 0.72 ALDH1A1 (0.50) ALDH1A1MAPTLMNAL3MBTL1
SCHEMBL29785305 0.71 ALDH1A1 (0.43) ALDH1A1MAPTLMNACYP2D6L3MBTL1

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 HTR2A 3274/4885SMN1; SMN2 2982/4885HRH3 1398/4885
US-20100216779-A1 Imidazopyridine Kinase Inhibitors ABL1, MAP3K19, MAP3K5 HTR2A 3274/4885SMN1; SMN2 2982/4885HRH3 1398/4885

“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.