SCHEMBL4892789

SCHEMBL4892789

C[C@@H]1C[C@H](C)CN(C(=O)c2cc(Br)ccc2NC(=O)C2CC(=O)c3ccccc32)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.39
GLS O94925 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
NSD2 O96028 1/20 0.38
HPGD P15428 1/20 0.38
NR4A1 P22736 1/20 0.38
MMP14 P50281 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
GAA P10253 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PLA2G1B P04054 1/20 0.35
ATG4B Q9Y4P1 1/20 0.35
AAK1 Q2M2I8 1/20 0.35
AR P10275 1/20 0.34
TLR2 O60603 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
SCHEMBL4894721 0.77 AAK1 (0.43) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL14087734 0.75 MEN1 (0.44) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL4890917 0.75 KDM4E (0.41) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL4898783 0.75 AAK1 (0.51) KDM4EKMT2AALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL4884311 0.74 KDM4E (0.48) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL14087809 0.73 L3MBTL1 (0.43) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL4744922 0.73 L3MBTL1 (0.43) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL4884321 0.73 KDM4E (0.47) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL4887300 0.73 CFD (0.49) KDM4EMEN1KMT2AALDH1A1MAPT
Hydrochloric Acid SCHEMBL4743895 0.73 L3MBTL1 (0.42) KDM4EMEN1KMT2AALDH1A1HPGD

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 KDM4E 2519/4885GLS 377/4885MEN1 3917/4885

“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.