SCHEMBL4534284

SCHEMBL4534284

COc1ccc(COC(=O)NC2CCCCC2[N+](=O)[O-])cc1OC

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
EPHX1 P07099 2/20 0.44
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
PDE4B Q07343 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALPL P05186 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
POLB P06746 1/20 0.38
RECQL P46063 1/20 0.38

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
SCHEMBL2187150 0.81 EPHX1 (0.52) MEN1KMT2AEPHX1ALDH1A1
SCHEMBL13917138 0.73 SLC6A4 (0.48) MEN1KMT2AEPHX1RAB9ANPC1
SCHEMBL13326288 0.73 SLC6A4 (0.48) MEN1KMT2AEPHX1RAB9ANPC1
SCHEMBL102353 0.73 MEN1 (0.63) MEN1KMT2AEPHX1RAB9ANPC1
SCHEMBL2190926 0.72 KMT2A (0.40) MEN1KMT2AEPHX1KDM4EALDH1A1
SCHEMBL6758772 0.68 ALDH1A1 (0.52) MEN1KMT2AEPHX1ALDH1A1
SCHEMBL27728485 0.68 ALDH1A1 (0.58) MEN1KMT2ANPC1ALDH1A1POLB
SCHEMBL292812 0.67 ALDH1A1 (0.57) MEN1KMT2ANPC1KDM4EALDH1A1
SCHEMBL101961 0.67 KMT2A (0.58) MEN1KMT2AEPHX1RAB9ANPC1
SCHEMBL28718046 0.67 ALDH1A1 (0.57) MEN1KMT2ANPC1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090305437-A1 FABRICATION OF INORGANIC MATERIALS USING TEMPLATES WITH LABILE LINKAGE CAMBRIOS TECHNOLOGIES CORPORATION (US) 2009-12-10 US disclosed
WO-2007103539-A2 FABRICATION OF INORGANIC MATERIALS USING TEMPLATES WITH LABILE LINKAGE CAMBRIOS TECHNOLOGIES CORPORATION (US) 2007-09-13 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-20090305437-A1 FABRICATION OF INORGANIC MATERIALS USING TEMPLATES WITH LABILE LINKAGE ILK, ECPAS, STUB1 MEN1 481/4885KMT2A 1539/4885EPHX1 2467/4885

“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.