SCHEMBL1728982

SCHEMBL1728982

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 4/20 0.33
POLB P06746 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TP53 P04637 1/20 0.33
ALDH1A1 P00352 2/20 0.33
HDAC3 O15379 4/20 0.33
HDAC1 Q13547 4/20 0.33
HDAC2 Q92769 4/20 0.33
HDAC6 Q9UBN7 4/20 0.33
KDM4E B2RXH2 2/20 0.33
JAK2 O60674 1/20 0.33
HSP90AA1 P07900 1/20 0.33
PKM P14618 1/20 0.33
MC4R P32245 1/20 0.33
RAB9A P51151 1/20 0.33
CCR6 P51684 1/20 0.33
CACNA1B Q00975 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
SCHEMBL15891132 0.83 HCAR3 (0.39) LMNAHTTPOLBKMT2AALDH1A1
SCHEMBL2421299 0.79 ALDH1A1 (0.41) LMNAHTTPOLBMEN1KMT2A
SCHEMBL14992919 0.78 HDAC4 (0.47) LMNAHTTALDH1A1HDAC3HDAC1
SCHEMBL3846025 0.76 MAPT (0.45) LMNAMAPTHTTPOLBMEN1
SCHEMBL1728980 0.75 CYP2D6 (0.34) LMNAMAPTHTTPOLBMEN1
SCHEMBL1728978 0.75 CYP2D6 (0.34) LMNAMAPTHTTPOLBMEN1
SCHEMBL14994300 0.75 HDAC1 (0.50) LMNAMAPTHTTPOLBMEN1
SCHEMBL1725828 0.74 KMT2A (0.43) MEN1KMT2AALDH1A1HDAC3HDAC1
SCHEMBL3383977 0.73 CYP2D6 (0.42) LMNAMAPTHTTPOLBMEN1
SCHEMBL1727324 0.73 HDAC3 (0.33) KMT2AHDAC3HDAC1HDAC2HDAC6

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 LMNA 3976/4885MAPT 3229/4885HTT 4740/4885

“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.