SCHEMBL1728980

SCHEMBL1728980

NC(=NO)c1cnc(NCCO)c(Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
ALDH1A1 P00352 3/20 0.33
MAPT P10636 3/20 0.33
RAB9A P51151 2/20 0.33
KDM4E B2RXH2 2/20 0.33
GAA P10253 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TP53 P04637 1/20 0.33
HTT P42858 4/20 0.33
POLB P06746 3/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
LMNA P02545 2/20 0.32
JAK2 O60674 1/20 0.32
HSP90AA1 P07900 1/20 0.32
PKM P14618 1/20 0.32
MC4R P32245 1/20 0.32
CCR6 P51684 1/20 0.32
CACNA1B Q00975 1/20 0.32

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
SCHEMBL1728978 1.00 CYP2D6 (0.34) CYP2D6CYP2C19ALDH1A1MAPTRAB9A
SCHEMBL15891131 0.84 SYK (0.45) CYP2C19ALDH1A1RAB9AKDM4EGAA
SCHEMBL13187552 0.84 SYK (0.45) CYP2C19ALDH1A1RAB9AKDM4EGAA
SCHEMBL3713462 0.81 L3MBTL1 (0.38) ALDH1A1MAPTRAB9AKDM4EGAA
SCHEMBL3713461 0.81 L3MBTL1 (0.38) ALDH1A1MAPTRAB9AKDM4EGAA
SCHEMBL14992917 0.79 HDAC4 (0.47) ALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL14992918 0.79 HDAC4 (0.47) ALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL2421299 0.78 ALDH1A1 (0.41) ALDH1A1RAB9AHTTPOLBMEN1
SCHEMBL1727214 0.77 STK17B (0.38) ALDH1A1MAPTRAB9AKDM4EGAA
SCHEMBL13187666 0.77 STK17B (0.38) ALDH1A1MAPTRAB9AKDM4EGAA

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 CYP2D6 3762/4885CYP2C19 2215/4885ALDH1A1 1840/4885

“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.