SCHEMBL5131445

SCHEMBL5131445

[O-][N+](=CCCOc1ccccc1)Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.44
DRD4 P21917 4/20 0.41
GAA P10253 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
ALDH1A1 P00352 1/20 0.40
RECQL P46063 1/20 0.40
DRD2 P14416 3/20 0.39
DRD3 P35462 3/20 0.39
BCHE P06276 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
TLR4 O00206 1/20 0.38
TLR2 O60603 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
LTA4H P09960 1/20 0.38
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37

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 0.83 AOC3 (0.42) KCNA3DRD4GAATAAR1ALDH1A1
SCHEMBL29094802 0.77 ALDH1A1 (0.38) TAAR1ALDH1A1MAOAMAOBSMN1; SMN2
SCHEMBL11818883 0.75 TP53 (0.38) ALDH1A1BCHEMAOBSMN1; SMN2
SCHEMBL5132939 0.73 ALDH1A1 (0.45) ALDH1A1BCHENPC1RAB9AMAOA
SCHEMBL5044078 0.73 KCNA3 (0.44) KCNA3DRD4TAAR1ALDH1A1RECQL
SCHEMBL5035885 0.73 LTA4H (0.46) DRD4ALDH1A1DRD2DRD3BCHE
SCHEMBL29094817 0.72 SMN1; SMN2 (0.36) BCHESMN1; SMN2
SCHEMBL29094830 0.71 TP53 (0.41) ALDH1A1BCHEMAOB
SCHEMBL29185800 0.70 HDAC1 (0.36) GAAALDH1A1BCHEMAPTHDAC4
SCHEMBL30128875 0.70 EPHX2 (0.40) SMN1; 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 KCNA3 2879/4885DRD4 1895/4885GAA 632/4885

“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.