SCHEMBL1727148

SCHEMBL1727148

CC(O)CNc1ccc(C#N)cn1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
DPP7 Q9UHL4 2/20 0.44
HCAR3 P49019 1/20 0.43
HCAR2 Q8TDS4 1/20 0.43
IDH1 O75874 2/20 0.42
FAAH O00519 1/20 0.41
DPP4 P27487 7/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
IRAK4 Q9NWZ3 2/20 0.40
DPP8 Q6V1X1 1/20 0.40

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
SCHEMBL21167755 0.87 HCAR3 (0.53) KDM4EALDH1A1DPP7HCAR3HCAR2
SCHEMBL15652190 0.84 DPP7 (0.47) DPP7HCAR3HCAR2IDH1DPP4
SCHEMBL1724786 0.83 EGLN2 (0.44) DPP7IDH1FAAHDPP4MEN1
SCHEMBL3060340 0.78 HCAR3 (0.49) KDM4EALDH1A1DPP7HCAR3IDH1
SCHEMBL6638863 0.78 DPP4 (0.53) KDM4EALDH1A1DPP7IDH1DPP4
SCHEMBL13115714 0.77 ALDH1A1 (0.53) KDM4EALDH1A1SMN1; SMN2HCAR3HCAR2
SCHEMBL16709541 0.76 MAPT (0.52) ALDH1A1SMN1; SMN2DPP7FAAHMEN1
SCHEMBL3049238 0.76 HCAR3 (0.51) KDM4EALDH1A1SMN1; SMN2DPP7HCAR3
SCHEMBL22000883 0.76 SMN1; SMN2 (0.51) KDM4EALDH1A1SMN1; SMN2HCAR3HCAR2
SCHEMBL30716722 0.76 KDM4E (0.51) KDM4EALDH1A1SMN1; SMN2HCAR3HCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8791142-B2 Oxazole pyridine derivatives useful as S1P1 receptor agonists MERCK SERONO S.A. (CH) 2014-07-29 US disclosed
EP-2403849-A1 OXAZOLE PYRIDINE DERIVATIVES USEFUL AS S1P1 RECEPTOR AGONISTS Merck Serono S.A. (CH) 2012-01-11 EP disclosed
US-20110306636-A1 OXAZOLE PYRIDINE DERIVATIVES USEFUL AS S1P1 RECEPTOR AGONISTS MERCK SERONO SA (CH) 2011-12-15 US disclosed
WO-2010100142-A1 OXAZOLE PYRIDINE DERIVATIVES USEFUL AS S1P1 RECEPTOR AGONISTS MERCK SERONO S.A. (CH) 2010-09-10 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-20110306636-A1 OXAZOLE PYRIDINE DERIVATIVES USEFUL AS S1P1 RECEPTOR AGONISTS S1PR1, S1PR3, S1PR5 KDM4E 2674/4885ALDH1A1 1840/4885SMN1; SMN2 1120/4885

“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.