SCHEMBL5554993

SCHEMBL5554993

CC(C)(C)C(=O)Nc1cccc(C=[N+]([O-])C(C)(C)C)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.41
CYP2C19 P33261 3/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
ADORA1 P30542 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
KMT2A Q03164 4/20 0.36
POLB P06746 3/20 0.36
HPGD P15428 2/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
RAB9A P51151 2/20 0.36
NPSR1 Q6W5P4 1/20 0.35
CYP2D6 P10635 1/20 0.35
MEN1 O00255 2/20 0.35
MAPT P10636 2/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.34

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
SCHEMBL8293564 1.00 CYP1A2 (0.41) CYP1A2CYP2C19CYP3A4CYP2C9ADORA1
SCHEMBL5549773 0.81 ADORA1 (0.41) CYP1A2CYP2C19CYP3A4CYP2C9ADORA1
SCHEMBL8294645 0.81 ADORA1 (0.41) CYP1A2CYP2C19CYP3A4CYP2C9ADORA1
SCHEMBL1857075 0.80 ADORA1 (0.44) CYP1A2CYP2C19CYP3A4CYP2C9ADORA1
SCHEMBL8292444 0.79 ADORA1 (0.37) CYP1A2CYP2C19CYP3A4CYP2C9ADORA1
SCHEMBL5549752 0.79 ADORA1 (0.37) CYP1A2CYP2C19CYP3A4CYP2C9ADORA1
SCHEMBL921576 0.77 L3MBTL1 (0.54) CYP1A2CYP2C19CYP3A4CYP2C9ADORA1
SCHEMBL2145200 0.76 ADORA1 (0.42) CYP1A2CYP2C19CYP3A4CYP2C9ADORA1
SCHEMBL2145203 0.76 ADORA1 (0.42) CYP1A2CYP2C19CYP3A4CYP2C9ADORA1
SCHEMBL126159 0.71 RAB9A (0.68) KMT2APOLBRAB9AMEN1MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070275932-A1 Aryl, heteroaromatic and bicyclic aryl nitrone compounds, prodrugs and pharmaceutical compositions of the same to treat human disorders RENOVIS, INC. 2007-11-29 US disclosed
US-20050059638-A1 Aryl, heteroaromatic and bicyclic aryl nitrone compounds, prodrugs and pharmaceutical compositions of the same to treat human disorders RENOVIS, INC. 2005-03-17 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-20070275932-A1 Aryl, heteroaromatic and bicyclic aryl nitrone compounds, prodrugs and pharmaceutical compositions of the same to treat human disorders AHR, NAT1, ARNT CYP1A2 19/4885CYP2C19 54/4885CYP3A4 98/4885
US-20050059638-A1 Aryl, heteroaromatic and bicyclic aryl nitrone compounds, prodrugs and pharmaceutical compositions of the same to treat human disorders AHR, NAT1, ARNT CYP1A2 19/4885CYP2C19 54/4885CYP3A4 98/4885

“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.