SCHEMBL4889541

SCHEMBL4889541

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 4/20 0.37
TSHR P16473 1/20 0.36
POLB P06746 1/20 0.35
KMT2A Q03164 3/20 0.35
HTT P42858 2/20 0.35
MEN1 O00255 2/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
GAA P10253 2/20 0.35
RAB9A P51151 1/20 0.35
PRMT3 O60678 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
RECQL P46063 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
SCHEMBL14103272 0.90 KDM4E (0.41) KDM4EL3MBTL1SMN1; SMN2ALDH1A1POLB
SCHEMBL4886327 0.84 POLB (0.46) KDM4EL3MBTL1SMN1; SMN2ALDH1A1POLB
SCHEMBL4893826 0.84 KDM4E (0.42) KDM4EL3MBTL1SMN1; SMN2ALDH1A1TSHR
SCHEMBL4893496 0.82 MAPT (0.41) KDM4EL3MBTL1SMN1; SMN2ALDH1A1POLB
SCHEMBL4883875 0.82 HDAC1 (0.40) KDM4EL3MBTL1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL4887300 0.82 CFD (0.49) KDM4EL3MBTL1ALDH1A1POLBKMT2A
SCHEMBL4895438 0.81 KDM4E (0.41) KDM4EL3MBTL1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL4895424 0.81 KDM4E (0.41) KDM4EL3MBTL1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL4886246 0.80 KDM4E (0.44) KDM4EL3MBTL1SMN1; SMN2ALDH1A1POLB
SCHEMBL4884232 0.80 ALDH1A1 (0.47) KDM4EALDH1A1HTTGAA

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.