SCHEMBL1728775

SCHEMBL1728775

N=C(NO)c1ccc(NCCO)nc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 7/20 0.45
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
TDO2 P48775 1/20 0.39
HCAR2 Q8TDS4 1/20 0.38
MAP4K4 O95819 3/20 0.38
CLK4 Q9HAZ1 3/20 0.38
TYK2 P29597 2/20 0.38
MINK1 Q8N4C8 2/20 0.38
SRPK1 Q96SB4 1/20 0.38
JAK2 O60674 2/20 0.37
ROCK2 O75116 2/20 0.37
CLK2 P49760 2/20 0.37
GSK3B P49841 2/20 0.37
DYRK1A Q13627 2/20 0.37
RPS6KB1 P23443 1/20 0.37
ROCK1 Q13464 1/20 0.37
MKNK1 Q9BUB5 1/20 0.35

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
SCHEMBL3807130 0.91 HCAR3 (0.48) HCAR3HCAR2MKNK1
SCHEMBL1727059 0.79 HCAR3 (0.43) HCAR3HCAR2CYP1A2
SCHEMBL14993827 0.77 HDAC1 (0.51) KDM4EALDH1A1POLB
SCHEMBL1729121 0.77 HCAR3 (0.51) HCAR3KDM4EALDH1A1HCAR2
SCHEMBL7230169 0.77 HCAR3 (0.73) HCAR3HCAR2
SCHEMBL1728771 0.76 HCAR3 (0.44) HCAR3KDM4EALDH1A1POLBGAA
SCHEMBL1728772 0.76 HCAR3 (0.44) HCAR3KDM4EALDH1A1POLBGAA
SCHEMBL1725523 0.76 HCAR3 (0.58) HCAR3TDO2HCAR2
SCHEMBL12639879 0.75 HCAR3 (0.58) HCAR3KDM4EALDH1A1POLBGAA
SCHEMBL182559 0.74 NPC1 (0.53) KDM4EALDH1A1POLBGAACYP1A2

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 173/4885KDM4E 2674/4885ALDH1A1 1840/4885

“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.