SCHEMBL1642018

SCHEMBL1642018

CN(C)CCOc1ccc([N+](=O)[O-])cc1F

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 2/20 0.60
CHRNB2 P17787 1/20 0.58
CHRNA4 P43681 1/20 0.58
KDM4E B2RXH2 1/20 0.51
GAA P10253 1/20 0.51
CYP19A1 P11511 5/20 0.48
HSPB1 P04792 3/20 0.45
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
NPC1 O15118 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL3442297 0.93 S1PR4 (0.58) S1PR4CHRNB2CHRNA4KDM4EGAA
SCHEMBL4010453 0.86 S1PR4 (0.57) S1PR4CHRNB2CHRNA4CYP19A1HSPB1
SCHEMBL1811361 0.84 CHRNB2 (0.59) S1PR4CHRNB2CHRNA4KDM4EGAA
SCHEMBL29769084 0.83 MAPT (0.62) S1PR4CHRNB2CHRNA4KDM4EGAA
SCHEMBL5275797 0.83 CHRNB2 (0.58) CHRNB2CHRNA4KDM4EGAACYP19A1
SCHEMBL1219905 0.83 CHRNB2 (0.58) CHRNB2CHRNA4KDM4EGAACYP19A1
SCHEMBL3442514 0.83 MAPT (0.62) S1PR4CHRNB2CHRNA4KDM4EGAA
SCHEMBL30957439 0.83 TDP1 (0.59) S1PR4CHRNB2CHRNA4KDM4EGAA
SCHEMBL6718522 0.83 TDP1 (0.59) S1PR4CHRNB2CHRNA4KDM4EGAA
SCHEMBL4402735 0.82 S1PR4 (0.62) S1PR4CYP19A1HSPB1MAPTSMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110098296-A1 Thiazole And Oxazole Kinase Inhibitors GLAXOSMITHKLINE LLC 2011-04-28 US disclosed
US-20110098296-A1 Thiazole And Oxazole Kinase Inhibitors GLAXOSMITHKLINE LLC 2011-04-28 US disclosed
US-20110098296-A1 Thiazole And Oxazole Kinase Inhibitors GLAXOSMITHKLINE LLC 2011-04-28 US disclosed
EP-2231625-A1 THIAZOLE AND OXAZOLE KINASE INHIBITORS GlaxoSmithKline LLC (US) 2010-09-29 EP disclosed
WO-2009076140-A1 THIAZOLE AND OXAZOLE KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-06-18 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-20110098296-A1 Thiazole And Oxazole Kinase Inhibitors PDXK, MAP3K1, MAP4K2 S1PR4 3143/4885CHRNB2 4233/4885CHRNA4 4213/4885

“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.