SCHEMBL2053052

SCHEMBL2053052

CCCC(C(=O)OC)c1c(C)nc2c(Br)c(C(C)(C)C)nn2c1Cl

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PSIP1 O75475 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL2047195 0.84 PSIP1 (0.52) KDM4EALDH1A1L3MBTL1PSIP1
SCHEMBL2053823 0.77 KDM4E (0.33) KDM4EALDH1A1L3MBTL1PSIP1
SCHEMBL2053933 0.76 AURKA (0.41) KDM4EPSIP1
SCHEMBL6123189 0.76 PSIP1 (0.59) KDM4EALDH1A1L3MBTL1PSIP1SMN1; SMN2
SCHEMBL2043361 0.73 PSIP1 (0.54) PSIP1SMN1; SMN2
SCHEMBL2042924 0.72 PSIP1 (0.31) PSIP1
SCHEMBL2041516 0.71 PDE4A (0.36) PSIP1
SCHEMBL2039818 0.71 PSIP1 (0.34) KDM4EALDH1A1PSIP1SMN1; SMN2
SCHEMBL2041660 0.70 GSK3B (0.36) KDM4EALDH1A1L3MBTL1PSIP1SMN1; SMN2
SCHEMBL2044208 0.69 MAPT (0.47) KDM4EALDH1A1SMN1; SMN2

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
EP-2516008-B1 NOVEL ANTIVIRAL COMPOUNDS UNIV LEUVEN KATH (BE) 2014-04-16 EP disclosed
US-20120316161-A1 NOVEL ANTIVIRAL COMPOUNDS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2012-12-13 US disclosed
EP-2516008-A1 NOVEL ANTIVIRAL COMPOUNDS Katholieke Universiteit Leuven (BE) 2012-10-31 EP disclosed
WO-2011076765-A1 NOVEL ANTIVIRAL COMPOUNDS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2011-06-30 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-20120316161-A1 NOVEL ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 KDM4E 2080/4885ALDH1A1 1275/4885L3MBTL1 3305/4885

“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.