SCHEMBL1729121

SCHEMBL1729121

CC(O)CNc1ccc(C(=N)NO)cn1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 13/20 0.51
HCAR2 Q8TDS4 2/20 0.51
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALOX5AP P20292 2/20 0.35
HDAC1 Q13547 1/20 0.34

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
SCHEMBL1727059 0.84 HCAR3 (0.43) HCAR3HCAR2
SCHEMBL1729116 0.78 HCAR3 (0.50) HCAR3HCAR2KDM4EALDH1A1SMN1; SMN2
SCHEMBL1729118 0.78 HCAR3 (0.50) HCAR3HCAR2KDM4EALDH1A1SMN1; SMN2
SCHEMBL1728775 0.77 HCAR3 (0.45) HCAR3HCAR2KDM4EALDH1A1
SCHEMBL7902105 0.76 SMN1; SMN2 (0.51) HCAR3HCAR2KDM4EALDH1A1SMN1; SMN2
SCHEMBL7904169 0.76 SMN1; SMN2 (0.51) HCAR3HCAR2KDM4EALDH1A1SMN1; SMN2
SCHEMBL1725523 0.76 HCAR3 (0.58) HCAR3HCAR2HDAC1
SCHEMBL3807130 0.75 HCAR3 (0.48) HCAR3HCAR2
SCHEMBL13115714 0.74 ALDH1A1 (0.53) HCAR3HCAR2KDM4EALDH1A1SMN1; SMN2
SCHEMBL14993827 0.73 HDAC1 (0.51) KDM4EALDH1A1SMN1; SMN2HDAC1

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 HCAR3 173/4885HCAR2 211/4885KDM4E 2674/4885

“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.