SCHEMBL1728772

SCHEMBL1728772

NC(=NO)c1ccc(NCCO)nc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 7/20 0.44
GAA P10253 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
NNMT P40261 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
TDO2 P48775 1/20 0.38
HCAR2 Q8TDS4 1/20 0.37
F10 P00742 1/20 0.37
MAP4K4 O95819 1/20 0.37
TYK2 P29597 1/20 0.37
MINK1 Q8N4C8 1/20 0.37
SRPK1 Q96SB4 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
RAB9A P51151 1/20 0.36

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
SCHEMBL1728771 1.00 HCAR3 (0.44) HCAR3GAAKDM4EALDH1A1POLB
SCHEMBL3807127 0.91 HCAR3 (0.47) HCAR3GAANNMTADRA2AADRA2B
SCHEMBL3807125 0.91 HCAR3 (0.47) HCAR3GAANNMTADRA2AADRA2B
SCHEMBL13187951 0.82 HCAR3 (0.43) HCAR3KDM4ENNMTADRA2AADRA2B
SCHEMBL22265488 0.81 HCAR3 (0.63) HCAR3GAAADRA2AADRA2BADRA2C
SCHEMBL22265490 0.81 HCAR3 (0.63) HCAR3GAAADRA2AADRA2BADRA2C
SCHEMBL1727057 0.80 HCAR3 (0.43) HCAR3GAANNMTADRA2AADRA2B
SCHEMBL1727055 0.80 HCAR3 (0.43) HCAR3GAANNMTADRA2AADRA2B
SCHEMBL1729118 0.78 HCAR3 (0.50) HCAR3GAAKDM4EALDH1A1NNMT
SCHEMBL14993824 0.78 POLB (0.48) KDM4EALDH1A1POLBTYK2

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 173/4885GAA 4674/4885KDM4E 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.