SCHEMBL2799501

SCHEMBL2799501

CSc1ccc(C=[N+]([O-])C(C)(C)C)cc1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 1/20 0.49
ALDH1A1 P00352 2/20 0.45
CYP1A1 P04798 5/20 0.39
CYP1A2 P05177 5/20 0.39
CYP1B1 Q16678 5/20 0.39
TDP1 Q9NUW8 1/20 0.38
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CDK2 P24941 1/20 0.35
GSK3B P49841 1/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
AKR1C1 Q04828 1/20 0.33

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
SCHEMBL11937176 0.86 TDP1 (0.39) FBP1ALDH1A1TDP1TSHRHSD17B10
SCHEMBL15216491 0.78 FBP1 (0.44) FBP1ALDH1A1TDP1TSHRHSD17B10
SCHEMBL28552488 0.78 FBP1 (0.44) FBP1ALDH1A1TDP1TSHRHSD17B10
SCHEMBL14993056 0.76 TDP1 (0.43) FBP1ALDH1A1TDP1TSHRHSD17B10
SCHEMBL15216499 0.76 ALDH1A1 (0.46) FBP1ALDH1A1TDP1TSHRHSD17B10
SCHEMBL17334524 0.76 ALDH1A1 (0.46) ALDH1A1TDP1TSHRHSD17B10GAA
SCHEMBL15216500 0.76 ALDH1A1 (0.48) FBP1ALDH1A1TDP1TSHRHSD17B10
SCHEMBL8039808 0.76 ALDH1A1 (0.46) FBP1ALDH1A1TDP1TSHRHSD17B10
SCHEMBL6935466 0.76 GAA (0.55) ALDH1A1CYP1A2TDP1TSHRHSD17B10
SCHEMBL4712004 0.76 TDP1 (0.43) FBP1ALDH1A1TDP1TSHRHSD17B10

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 FBP1 3291/4885ALDH1A1 226/4885CYP1A1 783/4885
US-20050182060-A1 2-Substituted and 4-substituted aryl nitrone compounds CXCR2, CCL5, CCL2 FBP1 3291/4885ALDH1A1 226/4885CYP1A1 783/4885

“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.