SCHEMBL4775413

SCHEMBL4775413

CC(=O)OCCOCCNc1c([N+](=O)[O-])cnc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
RECQL P46063 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
PKM P14618 1/20 0.43
HPGD P15428 4/20 0.40
MAPT P10636 4/20 0.40
ALDH1A1 P00352 4/20 0.40
NPSR1 Q6W5P4 3/20 0.39
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
DRD2 P14416 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
CHRM3 P20309 1/20 0.39
MAOA P21397 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
ADORA2A P29274 1/20 0.39
ADRA1A P35348 1/20 0.39

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
SCHEMBL3168206 0.86 KMT2A (0.45) KDM4EMEN1KMT2APKMHPGD
SCHEMBL22347111 0.85 MAPT (0.44) MEN1KMT2APKMHPGDMAPT
SCHEMBL4324704 0.84 KMT2A (0.43) KDM4EMEN1KMT2APKMHPGD
SCHEMBL7022780 0.83 CHRM2 (0.46) MEN1KMT2APKMHPGDMAPT
SCHEMBL7022776 0.83 CHRM2 (0.46) MEN1KMT2APKMHPGDMAPT
SCHEMBL1895040 0.83 CHRM2 (0.41) MEN1KMT2APKMHPGDMAPT
SCHEMBL6724381 0.82 LDHA (0.50) MEN1KMT2APKMHPGDMAPT
SCHEMBL1898134 0.82 CHRM2 (0.39) MEN1KMT2APKMHPGDMAPT
SCHEMBL1041725 0.82 BCHE (0.44) MEN1KMT2APKMHPGDMAPT
SCHEMBL1949343 0.81 MEN1 (0.42) MEN1KMT2APKMHPGDMAPT

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 5 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-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
WO-2005018551-A2 OXIME 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 KDM4E 1227/4885RECQL 728/4885MEN1 4159/4885

“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.