SCHEMBL4243097

SCHEMBL4243097

Cc1c(NCCCO)c([N+](=O)[O-])c2nnnn2c1C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.34
MEN1 O00255 5/20 0.34
KMT2A Q03164 5/20 0.34
MAPT P10636 5/20 0.34
HTT P42858 2/20 0.34
OPRK1 P41145 1/20 0.34
MCL1 Q07820 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TLR9 Q9NR96 1/20 0.34
LMNA P02545 1/20 0.32
NTSR1 P30989 1/20 0.32
GAA P10253 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
POLB P06746 1/20 0.31
KDM4E B2RXH2 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KAT2B Q92831 1/20 0.30
BCL6 P41182 1/20 0.30
BCOR Q6W2J9 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
SCHEMBL4317276 0.96 GSTM2 (0.32) ALDH1A1MEN1KMT2AMAPTHTT
SCHEMBL5344051 0.95 GSTM2 (0.34) ALDH1A1MEN1KMT2AMAPTHTT
SCHEMBL13527455 0.88 MEN1 (0.30) MEN1KMT2AMAPT
SCHEMBL4315924 0.87 ALDH1A1 (0.30) ALDH1A1MAPTTDP1L3MBTL1KAT2B
SCHEMBL5030340 0.86 SMN1; SMN2 (0.33) ALDH1A1MEN1KMT2AMAPTHTT
SCHEMBL5616460 0.85 MAPT (0.39) ALDH1A1MEN1KMT2AMAPTHTT
SCHEMBL5617319 0.84 TOP2A (0.43) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL14419213 0.82 KMT2A (0.31) ALDH1A1KMT2AHTTPOLBKDM4E
SCHEMBL4793343 0.82 MAPT (0.37) ALDH1A1MEN1KMT2AMAPTHTT
SCHEMBL5034598 0.79 PKM (0.32)

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
US-8673932-B2 Oxime substituted imidazo-containing compounds 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-03-18 US disclosed
EP-1653955-A4 HYDROXYLAMINE SUBSTITUTED IMIDAZO-CONTAINING COMPOUNDS 3M INNOVATIVE PROPERTIES CO (US) 2009-07-29 EP disclosed
EP-1653914-A4 OXIME SUBSTITUTED IMIDAZO-CONTAINING COMPOUNDS 3M INNOVATIVE PROPERTIES CO (US) 2008-10-29 EP disclosed
US-20070066639-A1 Oxime substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2007-03-22 US disclosed
EP-1653914-A2 OXIME SUBSTITUTED IMIDAZO-CONTAINING COMPOUNDS 3M Innovative Properties Company (US) 2006-05-10 EP disclosed
EP-1653955-A2 HYDROXYLAMINE SUBSTITUTED IMIDAZO-CONTAINING COMPOUNDS 3M Innovative Properties Company (US) 2006-05-10 EP disclosed
WO-2005018551-A2 OXIME SUBSTITUTED IMIDAZO-CONTAINING COMPOUNDS 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-03-03 WO disclosed
WO-2005018556-A2 HYDROXYLAMINE SUBSTITUTED IMIDAZO-CONTAINING COMPOUNDS 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-03-03 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-20070066639-A1 Oxime substituted imidazoquinolines IFNG, IRF3, IL2 ALDH1A1 1370/4885MEN1 4159/4885KMT2A 2150/4885

“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.