SCHEMBL4449246

SCHEMBL4449246

CN(C(=O)OC(C)(C)C)C(=O)C(C)(C)N

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
DGAT1 O75907 1/20 0.31
NFKB1 P19838 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30
CA14 Q9ULX7 1/20 0.30
PAX8 Q06710 1/20 0.30

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
SCHEMBL7345119 0.82 HDAC1 (0.31) HDAC6HDAC1HDAC2PAX8
SCHEMBL8737769 0.81 HDAC6 (0.39) HDAC6HDAC1HDAC2DGAT1NFKB1
SCHEMBL3126231 0.77 DGAT1 (0.38) HDAC6HDAC1HDAC2DGAT1CA14
SCHEMBL432112 0.77 HDAC6 (0.37) HDAC6HDAC1HDAC2DGAT1NFKB1
SCHEMBL28676568 0.75 HDAC6 (0.36) HDAC6HDAC1HDAC2DGAT1CA14
SCHEMBL8098483 0.75 HDAC6 (0.40) HDAC6HDAC1HDAC2DGAT1CA14
SCHEMBL9873641 0.75 HDAC6 (0.36) HDAC6HDAC1HDAC2DGAT1CA14
Hydrochloric Acid SCHEMBL5679482 0.75 HDAC6 (0.36) HDAC6HDAC1HDAC2DGAT1CA14
SCHEMBL22143232 0.74 HDAC6 (0.33) HDAC6HDAC1HDAC2DGAT1CA14
SCHEMBL2719 0.74 HDAC6 (0.33) HDAC6HDAC1HDAC2DGAT1CA14

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-7632840-B2 Quinazoline compounds for the treatment of hyperproliferative disorders ASTRAZENECA AB (SE) 2009-12-15 US disclosed
EP-1713781-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2008-11-05 EP disclosed
US-20080058391-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-03-06 US disclosed
US-20070293490-A1 Quinazoline Derivatives ASTRAZENECA AB (SE) 2007-12-20 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-20080058391-A1 NOVEL COMPOUNDS HCN3, KCNN3, HCN4 HDAC6 1919/4885HDAC1 1488/4885HDAC2 2156/4885
US-20070293490-A1 Quinazoline Derivatives CCNA1, CCND3, CCND2 HDAC6 3097/4885HDAC1 1592/4885HDAC2 2844/4885

“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.