SCHEMBL5478291

SCHEMBL5478291

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

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.69
HTT P42858 2/20 0.69
KMT2A Q03164 8/20 0.69
MEN1 O00255 7/20 0.69
CNR1 P21554 1/20 0.64
ALDH1A1 P00352 3/20 0.61
MAPT P10636 4/20 0.58
MAPK1 P28482 3/20 0.58
NPC1 O15118 2/20 0.58
RAB9A P51151 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
MYOC Q99972 1/20 0.58
CA12 O43570 1/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CA4 P22748 1/20 0.57
CA7 P43166 1/20 0.57
CA9 Q16790 1/20 0.57
SMN1; SMN2 Q16637 3/20 0.56
LMNA P02545 2/20 0.56

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
SCHEMBL9357972 0.92 HTT (0.60) POLBHTTKMT2AMEN1CNR1
SCHEMBL27929224 0.91 HTT (0.66) POLBHTTKMT2AMEN1CNR1
SCHEMBL6907398 0.86 POLB (0.72) POLBHTTKMT2AMEN1CNR1
SCHEMBL11745025 0.86 POLB (0.68) POLBHTTKMT2AMEN1CNR1
SCHEMBL10805170 0.86 POLB (0.68) POLBHTTKMT2AMEN1CNR1
SCHEMBL14574144 0.86 ACHE (0.62) POLBHTTKMT2AMEN1CNR1
Hydrochloric Acid SCHEMBL326624 0.84 POLB (0.66) POLBHTTKMT2AMEN1CNR1
SCHEMBL27182713 0.84 POLB (0.66) POLBHTTKMT2AMEN1CNR1
SCHEMBL27923049 0.84 POLB (0.70) POLBHTTKMT2AMEN1CNR1
SCHEMBL21583073 0.84 KDM4E (0.60) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103183682-B C-10 carbamido substituted artemisinin derivative and preparation method and application thereof SHENYANG PHARMACEUTICAL UNIVERSITY (CN) 2015-10-14 CN disclosed
CN-103183682-A C-10 carbamido substituted artemisinin derivative and preparation method and application thereof UNIV SHENYANG PHARMACEUTICAL 2013-07-03 CN disclosed
US-20070066615-A1 Heterocyclic compounds BAYER HEATHCARE AG (DE) 2007-03-22 US disclosed
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
US-20060287315-A1 Pyrazinedicarboxamides and their use BAYER HEALTHCARE AG (DE) 2006-12-21 US disclosed
EP-0621962-A1 FUNCTIONALIZED MEROCYANINE DYES AND POLYMERS INCORPORATING SUCH DYES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1994-11-02 EP disclosed
US-5256784-A Merocyanine dyes MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1993-10-26 US disclosed
WO-1993015596-A2 FUNCTIONALIZED MEROCYANINE DYES AND POLYMERS INCORPORATING SUCH DYES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1993-08-05 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 (3 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-20060287315-A1 Pyrazinedicarboxamides and their use PEPD, AADAC, PYCARD POLB 3588/4885HTT 2939/4885KMT2A 1950/4885
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 POLB 9/4885HTT 4331/4885KMT2A 849/4885
US-20070066615-A1 Heterocyclic compounds F2, SERPINC1, TFPI POLB 1495/4885HTT 182/4885KMT2A 2130/4885

“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.