SCHEMBL5035737

SCHEMBL5035737

COc1ccc(OCC=[N+]([O-])C2CCCCC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 2/20 0.40
TRPM8 Q7Z2W7 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
EPHX2 P34913 3/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
EPHX1 P07099 1/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL5043823 0.85 POLB (0.39) EPHX2RAB9ANPC1
SCHEMBL6154511 0.71 PTGS2 (0.46) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL6154189 0.71 PTGS2 (0.46) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL5046250 0.71 NPC1 (0.42) EPHX2RAB9ANPC1ALDH1A1
SCHEMBL5040616 0.70 MAOB (0.38) KMT2ARAB9ANPC1ALDH1A1LMNA
SCHEMBL6154092 0.69 PTGS2 (0.47) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL5039417 0.68 TSHR (0.40) ALDH1A1LMNA
SCHEMBL6318672 0.67 TDP1 (0.45) KDM4EMEN1KMT2ATDP1
SCHEMBL5035885 0.66 LTA4H (0.46) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL30674771 0.65 NFE2L2 (0.70) KDM4EMAPTEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1677745-A4 NITRONE COMPOUNDS PRODRUGS AND PHARMACEUTICAL COMPOSITIONS OF THE SAME TO TREAT HUMAN DISORDERS RENOVIS INC (US) 2008-10-22 EP disclosed
EP-1677745-A2 NITRONE COMPOUNDS PRODRUGS AND PHARMACEUTICAL COMPOSITIONS OF THE SAME TO TREAT HUMAN DISORDERS Renovis, Inc. (US) 2006-07-12 EP disclosed
US-20050192281-A1 Nitrone compounds, prodrugs and pharmaceuticals compositons of the same to treat human disorders RENOVIS, INC. 2005-09-01 US disclosed
WO-2005037208-A2 NITRONE COMPOUNDS PRODRUGS AND PHARMACEUTICAL COMPOSITIONS OF THE SAME TO TREAT HUMAN DISORDERS RENOVIS, INC. (US) 2005-04-28 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-20050192281-A1 Nitrone compounds, prodrugs and pharmaceuticals compositons of the same to treat human disorders NLN, NQO1, OPRL1 KDM4E 4105/4885MEN1 1676/4885KMT2A 3770/4885

“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.