SCHEMBL4894933

SCHEMBL4894933

C[C@@H]1C[C@H](C)CN(C(=O)c2cc(Br)ccc2NC(=O)CCC(=O)N(C)Cc2cccnc2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.43
KDM4E B2RXH2 4/20 0.37
RIPK1 Q13546 1/20 0.37
POLB P06746 1/20 0.37
PDK1 Q15118 2/20 0.36
PDK2 Q15119 2/20 0.36
PDK3 Q15120 2/20 0.36
PDK4 Q16654 2/20 0.36
NAMPT P43490 2/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
LRRK2 Q5S007 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HTT P42858 1/20 0.35
CACNA1G O43497 1/20 0.35
CACNA1H O95180 1/20 0.35
CACNA1I Q9P0X4 1/20 0.35
MAPT P10636 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
SCHEMBL4894367 0.90 DHODH (0.43) DHODHKDM4ERIPK1PDK1PDK2
SCHEMBL4894426 0.90 MAPK1 (0.43) KDM4EPOLBMAPK1TDP1MEN1
SCHEMBL4884292 0.89 DHODH (0.45) DHODHKDM4ERIPK1PDK1PDK2
SCHEMBL4893232 0.83 PKM (0.45) KDM4EPOLBMAPK1TDP1MEN1
SCHEMBL4886327 0.82 POLB (0.46) KDM4EPOLBMAPK1TDP1MEN1
SCHEMBL4886278 0.82 POLB (0.38) KDM4ERIPK1POLBMAPK1TDP1
SCHEMBL14102808 0.82 MAPK1 (0.42) KDM4EPOLBMAPK1TDP1MEN1
SCHEMBL4887422 0.81 NAMPT (0.54) KDM4ENAMPTMEN1KMT2A
SCHEMBL4894886 0.80 NPC1 (0.43) KDM4EMEN1KMT2AHTTCACNA1G
SCHEMBL4883942 0.79 POLB (0.47) KDM4EPOLBMAPK1TDP1

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 DHODH 101/4885KDM4E 2519/4885RIPK1 2760/4885

“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.