SCHEMBL4892012

SCHEMBL4892012

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.39
ALDH1A1 P00352 5/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
KMT2A Q03164 5/20 0.36
MEN1 O00255 4/20 0.36
MAPT P10636 2/20 0.36
NSD2 O96028 1/20 0.36
HPGD P15428 1/20 0.36
NR4A1 P22736 1/20 0.36
MMP14 P50281 1/20 0.36
AAK1 Q2M2I8 1/20 0.36
GAA P10253 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
POLB P06746 1/20 0.35
HTT P42858 2/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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 0.92 KDM4E (0.41) KDM4EL3MBTL1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL4893007 0.92 KDM4E (0.41) KDM4EL3MBTL1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL4886187 0.89 KDM4E (0.39) KDM4EL3MBTL1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL4886167 0.89 KDM4E (0.39) KDM4EL3MBTL1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL14087730 0.89 KDM4E (0.39) KDM4EL3MBTL1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL4884281 0.87 KDM4E (0.44) KDM4EL3MBTL1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL14103270 0.84 KDM4E (0.40) KDM4EL3MBTL1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL4886246 0.79 KDM4E (0.44) KDM4EL3MBTL1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL14087733 0.78 POLB (0.48) KDM4EL3MBTL1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL4886951 0.78 ALDH1A1 (0.43) KDM4EL3MBTL1ALDH1A1SMN1; SMN2KMT2A

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.