SCHEMBL1727324

SCHEMBL1727324

N=C(NO)c1cnc(O)c(Cl)c1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 6/20 0.33
HDAC1 Q13547 6/20 0.33
HDAC2 Q92769 6/20 0.33
HDAC6 Q9UBN7 6/20 0.33
KMT2A Q03164 1/20 0.31
IDO1 P14902 1/20 0.30

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
SCHEMBL1725828 0.83 KMT2A (0.43) HDAC3HDAC1HDAC2HDAC6KMT2A
SCHEMBL15891096 0.80 CYP2D6 (0.35) HDAC3HDAC1HDAC2HDAC6KMT2A
SCHEMBL15661290 0.78
SCHEMBL7832453 0.76 KMT2A (0.31) HDAC3HDAC1HDAC2HDAC6KMT2A
SCHEMBL8121970 0.74 TTR (0.46) KMT2A
SCHEMBL1425157 0.73 KMT2A (0.35) HDAC3HDAC1HDAC2HDAC6KMT2A
SCHEMBL15891073 0.73 IDO1 (0.35) HDAC3HDAC1HDAC2HDAC6IDO1
SCHEMBL1965619 0.73 RORC (0.37)
SCHEMBL1728982 0.73 LMNA (0.35) HDAC3HDAC1HDAC2HDAC6KMT2A
SCHEMBL199221 0.71 TTR (0.54) KMT2A

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 HDAC3 2146/4885HDAC1 1635/4885HDAC2 1971/4885

“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.