SCHEMBL4335618

SCHEMBL4335618

COc1ccc(-c2noc(NC(=O)C(C)c3cccc(C)c3)c2-c2ccncc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 9/20 0.50
PSEN1 P49768 3/20 0.49
PSEN2 P49810 3/20 0.49
APH1B Q8WW43 3/20 0.49
NCSTN Q92542 3/20 0.49
APH1A Q96BI3 3/20 0.49
PSENEN Q9NZ42 3/20 0.49
MLYCD O95822 1/20 0.49
MAPK14 Q16539 2/20 0.47
PTGS2 P35354 3/20 0.44
PTGS1 P23219 1/20 0.42
PDE3A Q14432 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
SCHEMBL4470225 0.90 HSP90AA1 (0.54) HSP90AA1PSEN1PSEN2APH1BNCSTN
SCHEMBL4332793 0.89 MAPK14 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4338188 0.85 MAPK14 (0.51) HSP90AA1PSEN1PSEN2APH1BNCSTN
SCHEMBL4347355 0.84 HSP90AA1 (0.55) HSP90AA1MLYCDMAPK14PTGS2
SCHEMBL4334629 0.83 MLYCD (0.51) HSP90AA1MLYCDMAPK14PTGS2
SCHEMBL4335452 0.83 PSEN1 (0.46) HSP90AA1PSEN1PSEN2APH1BNCSTN
SCHEMBL4521206 0.83 MLYCD (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4341274 0.83 MAPK14 (0.52) HSP90AA1PSEN1PSEN2APH1BNCSTN
SCHEMBL4337080 0.82 MLYCD (0.45) HSP90AA1PSEN1PSEN2APH1BNCSTN
SCHEMBL4330151 0.81 HSP90AA1 (0.55) HSP90AA1MLYCDMAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8207203-B2 Pyridylisoxazole derivatives ASKA PHARMACEUTICAL CO., LTD. (JP) 2012-06-26 US disclosed
US-20090306145-A1 Pyridylisoxazole Derivatives ASKA PHARMACEUTICAL CO., LTD. (JP) 2009-12-10 US disclosed
EP-2036905-A1 PYRIDYLISOXAZOLE DERIVATIVE ASKA Pharmaceutical Co., Ltd. (JP) 2009-03-18 EP 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-20090306145-A1 Pyridylisoxazole Derivatives CNKSR1, MAPK1, MAPK3 HSP90AA1 2550/4885PSEN1 4493/4885PSEN2 4398/4885

“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.