SCHEMBL4890917

SCHEMBL4890917

C[C@@H]1C[C@H](C)CN(C(=O)c2cc(Br)ccc2NC(=O)C2CC(=O)NC(=O)N2)C1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
AAK1 Q2M2I8 1/20 0.36
HPGD P15428 2/20 0.35
ALDH1A1 P00352 6/20 0.34
HTT P42858 2/20 0.34
MAPT P10636 2/20 0.34
MEN1 O00255 2/20 0.34
LMNA P02545 2/20 0.34
KMT2A Q03164 2/20 0.34
GAA P10253 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
RAB9A P51151 1/20 0.34
RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL14087734 0.85 MEN1 (0.44) KDM4EL3MBTL1SMN1; SMN2AAK1HPGD
SCHEMBL14102819 0.83 KDM4E (0.37) KDM4EL3MBTL1SMN1; SMN2HPGDALDH1A1
SCHEMBL14087809 0.79 L3MBTL1 (0.43) KDM4EL3MBTL1SMN1; SMN2AAK1HPGD
SCHEMBL4744922 0.79 L3MBTL1 (0.43) KDM4EL3MBTL1SMN1; SMN2AAK1HPGD
SCHEMBL4894721 0.78 AAK1 (0.43) KDM4EL3MBTL1SMN1; SMN2AAK1ALDH1A1
Hydrochloric Acid SCHEMBL4743895 0.78 L3MBTL1 (0.42) KDM4EL3MBTL1SMN1; SMN2AAK1HPGD
SCHEMBL4898783 0.77 AAK1 (0.51) KDM4EL3MBTL1SMN1; SMN2AAK1ALDH1A1
SCHEMBL4884311 0.76 KDM4E (0.48) KDM4EL3MBTL1SMN1; SMN2AAK1HPGD
SCHEMBL4892789 0.75 KDM4E (0.39) KDM4EL3MBTL1SMN1; SMN2AAK1HPGD
SCHEMBL4884321 0.75 KDM4E (0.47) KDM4EL3MBTL1SMN1; SMN2AAK1ALDH1A1

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 3221/4885SMN1; SMN2 4735/4885

“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.