SCHEMBL14574144

SCHEMBL14574144

O=C(NCCOCCO)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.62
POLB P06746 2/20 0.60
HTT P42858 1/20 0.60
KMT2A Q03164 10/20 0.58
MEN1 O00255 9/20 0.58
CNR1 P21554 1/20 0.56
ATG4B Q9Y4P1 1/20 0.55
ALDH1A1 P00352 2/20 0.54
MAPT P10636 3/20 0.54
NPC1 O15118 2/20 0.54
MAPK1 P28482 2/20 0.54
RAB9A P51151 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
MYOC Q99972 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA4 P22748 1/20 0.51
CA7 P43166 1/20 0.51

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
SCHEMBL5478291 0.86 POLB (0.69) POLBHTTKMT2AMEN1CNR1
SCHEMBL14574162 0.85 ALDH1A1 (0.62) ACHEHTTKMT2AMEN1ALDH1A1
SCHEMBL27929224 0.83 HTT (0.66) POLBHTTKMT2AMEN1CNR1
SCHEMBL10826147 0.81 MAPT (0.51) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL14574167 0.80 RAB9A (0.53) ACHEPOLBKMT2AMEN1CNR1
SCHEMBL26661968 0.80 ALDH1A1 (0.55) ACHEPOLBHTTKMT2AMEN1
SCHEMBL28871605 0.80 MEN1 (0.67) POLBKMT2AMEN1ALDH1A1MAPT
SCHEMBL10805170 0.79 POLB (0.68) POLBHTTKMT2AMEN1CNR1
SCHEMBL6907398 0.79 POLB (0.72) POLBHTTKMT2AMEN1CNR1
SCHEMBL11745025 0.79 POLB (0.68) POLBHTTKMT2AMEN1CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070037862-A1 inhibitors of polo-like kinases; (4,4-Dimethyl-4,5-dihydro-oxazol-2-yl)-[3-ethyl-4-oxo-5-[1-[3-(2-pyrrolidin-1-yl-ethyl)-phenylamino]-meth-(E/Z)-ylidene]-thiazolidin-(2-(E or Z))-ylidene]-acetonitrile; cancer, auto-immune diseases, cardiovascular diseases BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-02-15 US 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-20070037862-A1 inhibitors of polo-like kinases; (4,4-Dimethyl-4,5-dihydro-oxazol-2-yl)-[3-ethyl-4-oxo-5-[1-[3-(2-pyrrolidin-1-yl-ethyl)-phenylamino]-meth-(E/Z)-ylidene]-thiazolidin-(2-(E or Z))-ylidene]-acetonitrile; cancer, auto-immune diseases, cardiovascular diseases PLK2, PLK4, PDXK ACHE 4236/4885POLB 9/4885HTT 4331/4885

“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.