SCHEMBL2254367

SCHEMBL2254367

CS(=O)(=O)CCN1CCN(c2ccc([N+](=O)[O-])cn2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.59
ALDH1A1 P00352 3/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
NPBWR1 P48145 1/20 0.59
MCHR1 Q99705 1/20 0.59
LMNA P02545 1/20 0.58
ALOX12 P18054 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
MEN1 O00255 5/20 0.56
KMT2A Q03164 5/20 0.56
ATM Q13315 1/20 0.56
CYP1A2 P05177 1/20 0.55
CYP2C9 P11712 1/20 0.55
HPGD P15428 1/20 0.55
POLB P06746 1/20 0.47
CRBN Q96SW2 2/20 0.46
KCNJ1 P48048 1/20 0.46
KCNH2 Q12809 1/20 0.46
MAPK1 P28482 2/20 0.46
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL1682842 0.82 MAPT (0.68) MAPTALDH1A1L3MBTL1NPBWR1MCHR1
SCHEMBL1725016 0.81 MAPT (0.60) MAPTALDH1A1L3MBTL1NPBWR1MCHR1
SCHEMBL1815442 0.81 SIRT6 (0.61) MAPTALDH1A1LMNAKMT2APOLB
SCHEMBL2253923 0.81 SMO (0.50) ALDH1A1KMT2APOLBKDM4ESMO
SCHEMBL2254155 0.81 MAPT (0.67) MAPTALDH1A1L3MBTL1NPBWR1MCHR1
SCHEMBL854731 0.80 MAPT (0.74) MAPTALDH1A1L3MBTL1NPBWR1MCHR1
SCHEMBL30464683 0.80 MAPT (0.74) MAPTALDH1A1L3MBTL1NPBWR1MCHR1
SCHEMBL23612286 0.79 MAPT (0.60) MAPTALDH1A1L3MBTL1NPBWR1MCHR1
SCHEMBL2828726 0.79 MAPT (0.63) MAPTALDH1A1L3MBTL1NPBWR1MCHR1
SCHEMBL4264243 0.77 LMNA (0.61) MAPTALDH1A1LMNAKMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110190280-A1 Thiazole And Oxazole Kinase Inhibitors GLAXOSMITHKLINE LLC 2011-08-04 US disclosed
US-20110190280-A1 Thiazole And Oxazole Kinase Inhibitors GLAXOSMITHKLINE LLC 2011-08-04 US disclosed
EP-2197876-A1 THIAZOLE AND OXAZOLE KINASE INHIBITORS Glaxosmithkline LLC (US) 2010-06-23 EP disclosed
WO-2009032667-A1 THIAZOLE AND OXAZOLE KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-03-12 WO disclosed
WO-2009032667-A1 THIAZOLE AND OXAZOLE KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-03-12 WO 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 (1 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-20110190280-A1 Thiazole And Oxazole Kinase Inhibitors PDXK, MAP3K1, MAP4K2 MAPT 1402/4885ALDH1A1 3014/4885L3MBTL1 3639/4885

“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.