SCHEMBL4893007

SCHEMBL4893007

CC[C@@H](NC(C)=O)C(=O)Nc1ccc(Br)cc1C(=O)N1C[C@H](C)C[C@H](C)C1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.39
ALDH1A1 P00352 4/20 0.38
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
POLB P06746 1/20 0.37
AAK1 Q2M2I8 1/20 0.36
GAA P10253 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HTT P42858 2/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 1/20 0.35
RAB9A P51151 1/20 0.34

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
SCHEMBL4893019 1.00 KDM4E (0.41) KDM4EL3MBTL1ALDH1A1KMT2AMEN1
SCHEMBL4892012 0.92 KDM4E (0.41) KDM4EL3MBTL1ALDH1A1KMT2AMEN1
SCHEMBL4886167 0.89 KDM4E (0.39) KDM4EL3MBTL1ALDH1A1KMT2AMEN1
SCHEMBL4886187 0.89 KDM4E (0.39) KDM4EL3MBTL1ALDH1A1KMT2AMEN1
SCHEMBL14087730 0.89 KDM4E (0.39) KDM4EL3MBTL1ALDH1A1KMT2AMEN1
SCHEMBL4884281 0.87 KDM4E (0.44) KDM4EL3MBTL1ALDH1A1KMT2AMEN1
SCHEMBL4886246 0.79 KDM4E (0.44) KDM4EL3MBTL1ALDH1A1KMT2AMEN1
SCHEMBL14103270 0.78 KDM4E (0.40) KDM4EL3MBTL1ALDH1A1KMT2AMEN1
SCHEMBL14087733 0.78 POLB (0.48) KDM4EL3MBTL1ALDH1A1KMT2AMEN1
SCHEMBL4886951 0.78 ALDH1A1 (0.43) KDM4EL3MBTL1ALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080200512-A1 Hepatitis C virus polymerase inhibitors BLANEY JEFFREY MARK 2008-08-21 US disclosed
US-20080200512-A1 Hepatitis C virus polymerase inhibitors BLANEY JEFFREY MARK 2008-08-21 US disclosed
US-20080200512-A1 Hepatitis C virus polymerase inhibitors BLANEY JEFFREY MARK 2008-08-21 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-20080200512-A1 Hepatitis C virus polymerase inhibitors SSU72, POLR2H, POLR2E KDM4E 2519/4885L3MBTL1 3221/4885ALDH1A1 276/4885

“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.