SCHEMBL309838

SCHEMBL309838

CCOc1cc(N2CCN(CCS(C)(=O)=O)CC2)c(C)cc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.43
ALDH1A1 P00352 5/20 0.41
LMNA P02545 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KDM4E B2RXH2 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38
SMO Q99835 1/20 0.38
GAA P10253 1/20 0.37

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
SCHEMBL309887 0.89 MAPT (0.43) MAPTALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL311018 0.89 ALDH1A1 (0.47) MAPTALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL310371 0.85 SMN1; SMN2 (0.45) MAPTALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL1725703 0.85 ALDH1A1 (0.44) MAPTALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL310323 0.83 LMNA (0.42) MAPTALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL310757 0.83 SMO (0.41) MAPTALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL14406664 0.82 SIRT6 (0.41) MAPTALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL311242 0.82 MAPT (0.67) MAPTALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL309959 0.80 ALDH1A1 (0.44) MAPTALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL310385 0.77 ALDH1A1 (0.44) MAPTALDH1A1LMNASMN1; SMN2MEN1

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 10 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
WO-2010045451-A1 PYRROLOPYRIMIDINE COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-04-22 WO 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 MAPT 2367/4885ALDH1A1 3410/4885LMNA 2828/4885
US-20100216779-A1 Imidazopyridine Kinase Inhibitors ABL1, MAP3K19, MAP3K5 MAPT 2367/4885ALDH1A1 3410/4885LMNA 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.