SCHEMBL2795672

SCHEMBL2795672

CCN(CC)S(=O)(=O)c1ccc(C=[N+]([O-])C(C)C)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
HTT P42858 3/20 0.53
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
VCAM1 P19320 1/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 2/20 0.42
KDM1A O60341 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
ALDH1A1 P00352 5/20 0.42
KAT8 Q9H7Z6 1/20 0.41
MAPT P10636 3/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL13232924 1.00 LMNA (0.53) LMNASMN1; SMN2HTTNPC1RAB9A
SCHEMBL13232920 0.79 LMNA (0.53) LMNASMN1; SMN2HTTNPC1RAB9A
SCHEMBL2800128 0.79 LMNA (0.53) LMNASMN1; SMN2HTTNPC1RAB9A
SCHEMBL2802110 0.77 LMNA (0.68) LMNASMN1; SMN2HTTNPC1RAB9A
SCHEMBL9891035 0.76 NPC1 (0.41) HTTNPC1RAB9AALDH1A1MAPT
SCHEMBL2800772 0.75 CA12 (0.55) LMNASMN1; SMN2HTTMEN1KMT2A
SCHEMBL13232951 0.75 CA12 (0.55) LMNASMN1; SMN2HTTMEN1KMT2A
SCHEMBL7669776 0.74 SMN1; SMN2 (0.37) LMNASMN1; SMN2HTTNPC1RAB9A
SCHEMBL2800078 0.74 LMNA (0.50) LMNASMN1; SMN2HTTNPC1RAB9A
SCHEMBL13232933 0.74 LMNA (0.50) LMNASMN1; SMN2HTTNPC1RAB9A

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-20100168112-A1 2-Substituted and 4-substituted aryl nitrone compounds RENOVIS, INC. 2010-07-01 US disclosed
EP-1753714-A4 2-SUBSTITUTED AND 4-SUBSTITUTED ARYL NITRONE COMPOUDS RENOVIS INC (US) 2007-10-17 EP disclosed
EP-1753714-A2 2-SUBSTITUTED AND 4-SUBSTITUTED ARYL NITRONE COMPOUDS Renovis, Inc. (US) 2007-02-21 EP disclosed
WO-2005079270-A2 2-SUBSTITUTED AND 4-SUBSTITUTED ARYL NITRONE COMPOUDS RENOVIS, INC. (US) 2005-09-01 WO disclosed
US-20050182060-A1 2-Substituted and 4-substituted aryl nitrone compounds RENOVIS, INC. 2005-08-18 US 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 (2 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-20100168112-A1 2-Substituted and 4-substituted aryl nitrone compounds CXCR2, CCL5, CCL2 LMNA 3216/4885SMN1; SMN2 1311/4885HTT 3520/4885
US-20050182060-A1 2-Substituted and 4-substituted aryl nitrone compounds CXCR2, CCL5, CCL2 LMNA 3216/4885SMN1; SMN2 1311/4885HTT 3520/4885

“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.