SCHEMBL2801369

SCHEMBL2801369

CC(C)(C)[N+]([O-])=Cc1ccc(C(=O)NN)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
MPO P05164 2/20 0.44
CYP3A4 P08684 2/20 0.44
KDM5A P29375 1/20 0.44
BLM P54132 1/20 0.44
GFER P55789 1/20 0.44
PMP22 Q01453 1/20 0.44
HIF1A Q16665 1/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 1/20 0.44
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 3/20 0.43
LMNA P02545 2/20 0.43
OGG1 O15527 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KMT2A Q03164 1/20 0.42
CYP1A2 P05177 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
CYP2D6 P10635 1/20 0.40

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
SCHEMBL2798947 0.84 EGFR (0.48) MAPTALDH1A1LMNAKMT2A
SCHEMBL13232832 0.84 EGFR (0.48) MAPTALDH1A1LMNAKMT2A
SCHEMBL4264338 0.82 MAPT (0.49) MAPTHIF1ACA1CA2CA9
SCHEMBL13569513 0.82 MAPT (0.49) MAPTHIF1ACA1CA2CA9
SCHEMBL13232834 0.82 TSHR (0.46) MAPTCYP3A4BLMPMP22CA1
SCHEMBL4259261 0.81 ALDH1A1 (0.41) ALDH1A1L3MBTL1EPHX2NR1H4
SCHEMBL4259268 0.81 ALDH1A1 (0.41) ALDH1A1L3MBTL1EPHX2NR1H4
SCHEMBL4259258 0.81 ALDH1A1 (0.41) ALDH1A1L3MBTL1EPHX2NR1H4
SCHEMBL4261334 0.80 FBP1 (0.50) MAPTCYP3A4BLMCA1CA2
SCHEMBL4261335 0.80 FBP1 (0.50) MAPTCYP3A4BLMCA1CA2

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 MAPT 4604/4885MPO 21/4885CYP3A4 1169/4885
US-20050182060-A1 2-Substituted and 4-substituted aryl nitrone compounds CXCR2, CCL5, CCL2 MAPT 4604/4885MPO 21/4885CYP3A4 1169/4885

“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.