SCHEMBL4892647

SCHEMBL4892647

COC(=O)NCC(=O)N(C(=O)N1C[C@H](C)C[C@H](C)C1)c1ccc(Br)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.45
KMT2A Q03164 4/20 0.40
MEN1 O00255 2/20 0.40
HSP90AA1 P07900 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
RECQL P46063 1/20 0.36
ALDH1A1 P00352 5/20 0.36
HPGD P15428 2/20 0.36
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
GAA P10253 2/20 0.33
ATM Q13315 1/20 0.32

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
SCHEMBL4889461 0.85 KDM4E (0.44) KDM4EKMT2AMEN1SMN1; SMN2CYP1A2
SCHEMBL4896093 0.84 KMT2A (0.46) KDM4EKMT2AMEN1SMN1; SMN2CYP1A2
SCHEMBL4887155 0.82 L3MBTL1 (0.44) KDM4EKMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL4882730 0.79 THRB (0.42) KDM4EKMT2AMEN1ALDH1A1NPSR1
SCHEMBL4887013 0.77 KMT2A (0.40) KDM4EKMT2AMEN1SMN1; SMN2CYP1A2
SCHEMBL4892997 0.73 KMT2A (0.46) KDM4EKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL4892456 0.73 THRB (0.38) KDM4EKMT2AMEN1ALDH1A1NPSR1
SCHEMBL4886348 0.72 KMT2A (0.48) KDM4EKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL4887565 0.72 SLC6A9 (0.43) KDM4EKMT2AMEN1SMN1; SMN2CYP1A2
SCHEMBL4893181 0.70 THRB (0.43) KDM4EKMT2AMEN1SMN1; SMN2CYP3A4

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 1 patent. 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

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 2519/4885KMT2A 2650/4885MEN1 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.