SCHEMBL5035885

SCHEMBL5035885

COc1ccc(OCC=[N+]([O-])Cc2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.46
TSHR P16473 2/20 0.42
KMT2A Q03164 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPK1 P28482 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
ALDH1A1 P00352 1/20 0.39
MEN1 O00255 1/20 0.39
BCHE P06276 1/20 0.39
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
TRPA1 O75762 1/20 0.39
MAOB P27338 1/20 0.39
G6PC1 P35575 1/20 0.38
CA4 P22748 1/20 0.38
CYP19A1 P11511 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
SCHEMBL5039290 0.89 AOC3 (0.42) KMT2ARAB9ASMN1; SMN2ALDH1A1BCHE
SCHEMBL29094810 0.78 TRPA1 (0.49) LTA4HKMT2ARAB9ASIGMAR1ALDH1A1
SCHEMBL5131445 0.73 KCNA3 (0.44) LTA4HNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL5046082 0.73 NPC1 (0.37) TSHRKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL3334310 0.72 TSHR (0.48) TSHRKMT2ANPC1RAB9AMEN1
SCHEMBL3334314 0.72 TSHR (0.48) TSHRKMT2ANPC1RAB9AMEN1
SCHEMBL5040616 0.71 MAOB (0.38) TSHRKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL29094830 0.71 TP53 (0.41) TSHRKMT2AALDH1A1MEN1BCHE
SCHEMBL29094798 0.71 CYP19A1 (0.43) LTA4HTSHRKMT2ASMN1; SMN2MAPK1
SCHEMBL4777209 0.70 LTA4H (0.55) LTA4HTSHRNPC1RAB9ASMN1; SMN2

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 LTA4H 892/4885TSHR 3020/4885KMT2A 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.