SCHEMBL4884281

SCHEMBL4884281

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

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
AAK1 Q2M2I8 1/20 0.38
GAA P10253 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HTT P42858 2/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
HPGD P15428 1/20 0.35
PLA2G1B P04054 1/20 0.34
ATG4B Q9Y4P1 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
SCHEMBL4896900 0.87 L3MBTL1 (0.41) KDM4EMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL4894071 0.87 ALDH1A1 (0.46) KDM4EMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL14112904 0.87 L3MBTL1 (0.41) KDM4EMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL4893019 0.87 KDM4E (0.41) KDM4EMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL4893007 0.87 KDM4E (0.41) KDM4EMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL4892012 0.87 KDM4E (0.41) KDM4EMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL4886167 0.84 KDM4E (0.39) KDM4EMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL4886187 0.84 KDM4E (0.39) KDM4EMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL14087730 0.83 KDM4E (0.39) KDM4EMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL4895424 0.82 KDM4E (0.41) KDM4EMEN1KMT2AL3MBTL1ALDH1A1

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
WO-2008098859-A1 HCV POLYMERASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-08-21 WO 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 2519/4885MEN1 3917/4885KMT2A 2650/4885

“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.