SCHEMBL4886327

SCHEMBL4886327

C[C@@H]1C[C@H](C)CN(C(=O)c2cc(Br)ccc2NC(=O)CCC(=O)N(C)C)C1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
KDM4E B2RXH2 3/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAPK1 P28482 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 3/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HTT P42858 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
GAA P10253 1/20 0.36
FPR3 P25089 1/20 0.36
FPR2 P25090 1/20 0.36

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
SCHEMBL4887377 0.92 POLB (0.43) POLBKDM4ETDP1MAPK1L3MBTL1
SCHEMBL4883942 0.90 POLB (0.47) POLBKDM4ETDP1MAPK1L3MBTL1
SCHEMBL4896483 0.88 L3MBTL1 (0.43) POLBKDM4EMAPK1L3MBTL1ALDH1A1
SCHEMBL14087733 0.88 POLB (0.48) POLBKDM4ETDP1MAPK1L3MBTL1
SCHEMBL4882718 0.88 KDM4E (0.55) POLBKDM4ETDP1MAPK1L3MBTL1
SCHEMBL4895411 0.88 ALDH1A1 (0.45) KDM4ESMN1; SMN2ALDH1A1NPSR1MEN1
SCHEMBL4893113 0.87 POLB (0.47) POLBKDM4ETDP1MAPK1L3MBTL1
SCHEMBL4894426 0.87 MAPK1 (0.43) POLBKDM4ETDP1MAPK1ALDH1A1
SCHEMBL14087731 0.86 POLB (0.46) POLBKDM4ETDP1MAPK1L3MBTL1
SCHEMBL4892495 0.86 POLB (0.40) POLBKDM4ETDP1MAPK1L3MBTL1

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
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
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 POLB 79/4885KDM4E 2519/4885TDP1 3918/4885

“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.