SCHEMBL3027865

SCHEMBL3027865

CCOC(=O)c1[nH]c(CC)nc1C

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
HPGD P15428 2/20 0.50
KDM4E B2RXH2 2/20 0.50
HTT P42858 1/20 0.50
RECQL P46063 1/20 0.50
CYP1A2 P05177 2/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
PDE4D Q08499 1/20 0.43
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL5809049 0.86 ALDH1A1 (0.47) ALDH1A1HPGDKDM4EHTTRECQL
SCHEMBL3829117 0.86 ALDH1A1 (0.51) ALDH1A1HPGDKDM4EHTTRECQL
SCHEMBL4607159 0.86 LMNA (0.41) ALDH1A1HPGDKDM4EHTTRECQL
SCHEMBL9310219 0.84 ALDH1A1 (0.53) ALDH1A1HPGDKDM4EHTTRECQL
SCHEMBL7309272 0.84 ALDH1A1 (0.49) ALDH1A1HPGDKDM4EHTTRECQL
SCHEMBL9308698 0.83 ALDH1A1 (0.45) ALDH1A1HPGDKDM4EHTTRECQL
SCHEMBL2616850 0.81 ALDH1A1 (0.53) ALDH1A1HPGDKDM4EHTTRECQL
SCHEMBL11325666 0.80 ALDH1A1 (0.45) ALDH1A1HPGDKDM4EHTTRECQL
SCHEMBL8901939 0.80 ALDH1A1 (0.45) ALDH1A1HPGDKDM4EHTTRECQL
SCHEMBL2778487 0.79 TP53 (0.44) ALDH1A1LMNAL3MBTL1

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-8304419-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2012-11-06 US disclosed
US-20100216746-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-08-26 US disclosed
EP-2166856-A1 CHEMICAL COMPOUNDS GlaxoSmithKline LLC (US) 2010-03-31 EP disclosed
WO-2008154271-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-18 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-20100216746-A1 CHEMICAL COMPOUNDS SAMHD1, POLRMT, NUDT1 ALDH1A1 348/4885HPGD 824/4885KDM4E 1070/4885

“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.