SCHEMBL1725523

SCHEMBL1725523

CNc1ccc(C(=N)NO)cn1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 11/20 0.58
NNMT P40261 2/20 0.56
HDAC1 Q13547 2/20 0.37
HDAC6 Q9UBN7 1/20 0.37
MAPT P10636 1/20 0.36
HCAR2 Q8TDS4 2/20 0.35
APP P05067 1/20 0.35
TDO2 P48775 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
SCHEMBL4409319 0.80 PTK2 (0.54) HCAR3NNMTHDAC1HDAC6MAPT
SCHEMBL14973431 0.77 HCAR3 (0.47) HCAR3NNMTHDAC1HDAC6MAPT
SCHEMBL641282 0.77 HDAC1 (0.61) HDAC1HDAC6MAPT
SCHEMBL1728775 0.76 HCAR3 (0.45) HCAR3HCAR2TDO2
SCHEMBL1729121 0.76 HCAR3 (0.51) HCAR3HDAC1HCAR2
SCHEMBL14061762 0.75 HDAC1 (0.36) HDAC1HDAC6
SCHEMBL1725915 0.75 HDAC1 (0.36) HDAC1HDAC6
SCHEMBL29854816 0.74 GCK (0.40) HCAR3NNMTHDAC1HDAC6MAPT
SCHEMBL1483582 0.74 HDAC1 (0.49) HCAR3NNMTHDAC1HCAR2
SCHEMBL28810935 0.74 GCK (0.40) HCAR3NNMTHDAC1HDAC6MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018072697-A1 OXADIAZOLE RING-CONTAINING COMPOUND, PREPARATION METHOD THEREFOR, AND INTERMEDIATE, COMPOSITE, AND APPLICATION THEREOF 上海医药集团股份有限公司 2018-04-26 WO disclosed
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 173/4885NNMT 3153/4885HDAC1 1635/4885

“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.