SCHEMBL4906692

SCHEMBL4906692

Cc1ccc(-c2c[n+]([O-])c(C)c(C)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.42
ENPP3 O14638 1/20 0.39
ENPP1 P22413 1/20 0.39
KMT2A Q03164 8/20 0.38
MEN1 O00255 7/20 0.38
KDM4E B2RXH2 5/20 0.38
ALDH1A1 P00352 4/20 0.38
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
MITF O75030 2/20 0.38
KDM5A P29375 1/20 0.38
KDM5C P41229 1/20 0.38
PAX8 Q06710 1/20 0.38
MAPT P10636 4/20 0.38
TP53 P04637 3/20 0.38
HPGD P15428 2/20 0.38
GAA P10253 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL9791429 0.70 KDM4E (0.47) SMN1; SMN2KMT2AMEN1KDM4EALDH1A1
SCHEMBL11218549 0.70 RAB9A (0.42) SMN1; SMN2KMT2AMEN1KDM4EALDH1A1
SCHEMBL28078244 0.68
SCHEMBL12264964 0.68 MEN1 (0.55) SMN1; SMN2ENPP3ENPP1KMT2AMEN1
SCHEMBL3421833 0.68 KMT2A (0.59) SMN1; SMN2ENPP3ENPP1KMT2AMEN1
SCHEMBL8989162 0.67 SMN1; SMN2 (0.56) SMN1; SMN2ENPP3ENPP1KMT2AMEN1
SCHEMBL23921025 0.66 KMT2A (0.56) SMN1; SMN2ENPP3ENPP1KMT2AMEN1
SCHEMBL4910639 0.66 CYP11B1 (0.59) SMN1; SMN2ENPP3ENPP1KMT2AMEN1
SCHEMBL4401760 0.66 KMT2A (0.56) SMN1; SMN2ENPP3ENPP1KMT2AMEN1
SCHEMBL13173500 0.66 KMT2A (0.63) SMN1; SMN2ENPP3ENPP1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080132698-A1 Use of N-oxide compounds in coupling reactions UNIVERSITY OF OTTAWA 2008-06-05 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 (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-20080132698-A1 Use of N-oxide compounds in coupling reactions CYP4X1, CYP4F3, CYP1A2 SMN1; SMN2 2279/4885ENPP3 1208/4885ENPP1 1903/4885

“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.