SCHEMBL4893712

SCHEMBL4893712

COc1ccc(NC(=O)CNC(=O)c2cccnc2N2CCOCC2)c(C(=O)N2C[C@H](C)C[C@H](C)C2)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
L3MBTL1 Q9Y468 3/20 0.43
TP53 P04637 2/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 5/20 0.39
PDE4B Q07343 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
CHIA Q9BZP6 1/20 0.38
KDM4E B2RXH2 2/20 0.38
GAA P10253 1/20 0.38
BCL3 P20749 1/20 0.38
POLB P06746 1/20 0.38
THRB P10828 1/20 0.38
ALB P02768 1/20 0.38

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
SCHEMBL4886340 0.81 TSHR (0.51) MEN1KMT2AL3MBTL1MAPTALDH1A1
SCHEMBL4893717 0.79 L3MBTL1 (0.44) KMT2AL3MBTL1TP53MAPTALDH1A1
SCHEMBL4895640 0.78 KDM4E (0.53) KMT2AMAPK1ALDH1A1KDM4EPOLB
SCHEMBL4908569 0.78 ALDH1A1 (0.47) L3MBTL1ALDH1A1NPSR1KDM4E
SCHEMBL4908582 0.78 ALDH1A1 (0.47) L3MBTL1ALDH1A1NPSR1KDM4E
SCHEMBL4896113 0.77 MAPK1 (0.52) L3MBTL1MAPK1ALDH1A1NPSR1KDM4E
SCHEMBL4892539 0.75 GAA (0.43) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL14103291 0.73 TSHR (0.49) MEN1KMT2AL3MBTL1MAPTALDH1A1
SCHEMBL4889408 0.71 KMT2A (0.45) KMT2AMAPTALDH1A1NPSR1KDM4E
SCHEMBL4896576 0.70 HTT (0.46) MEN1KMT2AL3MBTL1MAPTALDH1A1

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 MEN1 3917/4885KMT2A 2650/4885L3MBTL1 3221/4885

“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.