SCHEMBL2952969

SCHEMBL2952969

COC(=O)C1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.67
LMNA P02545 1/20 0.67
MAPT P10636 11/20 0.66
SIRT6 Q8N6T7 2/20 0.64
TDP1 Q9NUW8 2/20 0.56
HTR6 P50406 1/20 0.46
PDE3B Q13370 1/20 0.46
PDE3A Q14432 1/20 0.46
PDK2 Q15119 1/20 0.46
MAPK1 P28482 2/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL520828 0.89 ALDH1A1 (0.68) ALDH1A1LMNAMAPTSIRT6TDP1
SCHEMBL12862152 0.89 ALDH1A1 (0.68) ALDH1A1LMNAMAPTSIRT6TDP1
SCHEMBL12312147 0.88 ALDH1A1 (0.64) ALDH1A1LMNAMAPTSIRT6TDP1
SCHEMBL12312101 0.88 ALDH1A1 (0.67) ALDH1A1LMNAMAPTSIRT6HTR6
SCHEMBL517280 0.86 ALDH1A1 (0.64) ALDH1A1LMNAMAPTSIRT6TDP1
SCHEMBL517279 0.86 ALDH1A1 (0.64) ALDH1A1LMNAMAPTSIRT6TDP1
SCHEMBL22955203 0.86 ALDH1A1 (0.58) ALDH1A1LMNAMAPTSIRT6TDP1
SCHEMBL311272 0.85 ALDH1A1 (0.73) ALDH1A1LMNAMAPTSIRT6TDP1
SCHEMBL520526 0.83 SIRT6 (0.71) ALDH1A1LMNAMAPTSIRT6HTR6
SCHEMBL23654833 0.83 ALDH1A1 (0.70) ALDH1A1LMNAMAPTSIRT6HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2012-05-17 US disclosed
US-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2012-05-17 US disclosed
WO-2010111406-A2 COMPOUNDS AND THERAPEUTIC USES THEREOF MYRIAD PHARMACEUTICALS, INC. (US) 2010-09-30 WO disclosed
WO-2010111406-A2 COMPOUNDS AND THERAPEUTIC USES THEREOF MYRIAD PHARMACEUTICALS, INC. (US) 2010-09-30 WO 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-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF VHL, TP53, ASAH2 ALDH1A1 238/4885LMNA 2130/4885MAPT 1115/4885

“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.