SCHEMBL1727072

SCHEMBL1727072

Cc1cc(C(N)=NO)cnc1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 3/20 0.48
NOS1 P29475 3/20 0.48
NOS2 P35228 3/20 0.48
LMNA P02545 2/20 0.39
GFER P55789 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAP4K4 O95819 1/20 0.38
FLT3 P36888 2/20 0.36
GAA P10253 4/20 0.35
RAB9A P51151 3/20 0.35
NPC1 O15118 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GLA P06280 1/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RECQL P46063 1/20 0.34
PIK3R1 P27986 1/20 0.33
PIK3CA P42336 1/20 0.33

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
SCHEMBL1727070 1.00 NOS3 (0.48) NOS3NOS1NOS2LMNAGFER
SCHEMBL29392876 0.83 LMNA (0.40) LMNAGFERKMT2AL3MBTL1GAA
SCHEMBL25241798 0.83 LMNA (0.40) LMNAGFERKMT2AL3MBTL1GAA
SCHEMBL15891095 0.78 FLT3 (0.42) L3MBTL1MAP4K4FLT3GAARAB9A
SCHEMBL13187351 0.78 FLT3 (0.42) L3MBTL1MAP4K4FLT3GAARAB9A
SCHEMBL3463153 0.77 RECQL (0.41) LMNAGFERKMT2AL3MBTL1GAA
SCHEMBL3463152 0.77 RECQL (0.41) LMNAGFERKMT2AL3MBTL1GAA
SCHEMBL29393259 0.77 LMNA (0.36) LMNAGFERKMT2AL3MBTL1GAA
SCHEMBL25231695 0.77 LMNA (0.36) LMNAGFERKMT2AL3MBTL1GAA
SCHEMBL17490781 0.77 NOS3 (0.52) NOS3NOS1NOS2LMNAMAP4K4

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 NOS3 1212/4885NOS1 960/4885NOS2 1852/4885

“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.