SCHEMBL10053129

SCHEMBL10053129

CCOC(=O)CN(C)Cc1cccc(C(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
SMN1; SMN2 Q16637 5/20 0.45
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 3/20 0.45
MAPT P10636 1/20 0.45
LTA4H P09960 1/20 0.43
LMNA P02545 2/20 0.42
TP53 P04637 1/20 0.40
MEP1B Q16820 1/20 0.40
NLRP3 Q96P20 1/20 0.38
F10 P00742 1/20 0.38
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 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
SCHEMBL10076568 0.83 KMT2A (0.49) MEN1KMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL10053133 0.82 MEN1 (0.53) MEN1KMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL413698 0.81 SMN1; SMN2 (0.47) MEN1KMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL19633808 0.81 MEN1 (0.49) MEN1KMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL1691249 0.80 L3MBTL1 (0.43) MEN1KMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL8337648 0.80 ALDH1A1 (0.57) SMN1; SMN2KDM4EALDH1A1MAPTLTA4H
SCHEMBL13091242 0.78 CYP4F2 (0.53) F10
SCHEMBL10053125 0.77 CHRNB2 (0.47) MEN1KMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL12545915 0.76 F10 (0.42) MEN1KMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL10289795 0.76 ALOX5 (0.52) SMN1; SMN2LMNAF10

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-8106031-B2 Hydrolytically-resistant boron-containing therapeutics and methods of use ANACOR PHARMACEUTICALS, INC. (US) 2012-01-31 US disclosed
US-8106031-B2 Hydrolytically-resistant boron-containing therapeutics and methods of use ANACOR PHARMACEUTICALS, INC. (US) 2012-01-31 US disclosed
US-20070265226-A1 Hydrolytically-Resistant Boron-Containing Therapeutics And Methods Of Use ANACOR PHARMACEUTICALS (US) 2007-11-15 US disclosed
US-20070265226-A1 Hydrolytically-Resistant Boron-Containing Therapeutics And Methods Of Use ANACOR PHARMACEUTICALS (US) 2007-11-15 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-20070265226-A1 Hydrolytically-Resistant Boron-Containing Therapeutics And Methods Of Use GAA, BTD, MANBA MEN1 663/4885KMT2A 2279/4885SMN1; SMN2 1509/4885

“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.