SCHEMBL4894751

SCHEMBL4894751

CC(=O)N1CCN(C(=O)CCC(=O)Nc2ccc(Br)cc2C(=O)N2C[C@H](C)C[C@H](C)C2)CC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
KDM4E B2RXH2 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
MAPK1 P28482 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL4886249 0.93 POLB (0.41) POLBKDM4ETDP1MAPK1SMN1; SMN2
SCHEMBL4896609 0.91 KMT2A (0.47) POLBKDM4ETDP1MAPK1SMN1; SMN2
SCHEMBL21067812 0.89 ALDH1A1 (0.45) POLBKDM4ETDP1SMN1; SMN2L3MBTL1
SCHEMBL4896082 0.89 POLB (0.43) POLBKDM4ETDP1MAPK1SMN1; SMN2
SCHEMBL4886969 0.88 SMN1; SMN2 (0.48) KDM4EMAPK1SMN1; SMN2TSHRKMT2A
SCHEMBL14087733 0.88 POLB (0.48) POLBKDM4ETDP1MAPK1SMN1; SMN2
SCHEMBL4892541 0.87 POLB (0.39) POLBKDM4ETDP1MAPK1SMN1; SMN2
SCHEMBL4882712 0.86 HTT (0.47) POLBKDM4ETDP1MAPK1SMN1; SMN2
SCHEMBL4882718 0.86 KDM4E (0.55) POLBKDM4ETDP1MAPK1SMN1; SMN2
SCHEMBL4893113 0.85 POLB (0.47) POLBKDM4ETDP1MAPK1SMN1; 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
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.