SCHEMBL4893015

SCHEMBL4893015

CCN(CC)C(=O)C1CCCN(C(=O)CCC(=O)Nc2ccc(Br)cc2C(=O)N2C[C@H](C)C[C@H](C)C2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.44
KDM4E B2RXH2 2/20 0.42
LMNA P02545 1/20 0.42
ALDH1A1 P00352 2/20 0.41
TSHR P16473 2/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
HSD17B10 Q99714 1/20 0.41
SAE1 Q9UBE0 1/20 0.41
UBA2 Q9UBT2 1/20 0.41
NAMPT P43490 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
EPHX2 P34913 1/20 0.39
POLB P06746 1/20 0.39
ADORA2A P29274 2/20 0.37
PARP1 P09874 1/20 0.37
PTPN7 P35236 1/20 0.37

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
SCHEMBL4893782 0.90 ALDH1A1 (0.46) HPGDKDM4ELMNAALDH1A1TSHR
SCHEMBL4891474 0.89 HPGD (0.42) HPGDKDM4ELMNAALDH1A1TSHR
SCHEMBL4896609 0.86 KMT2A (0.47) HPGDKDM4EALDH1A1CASP7SMN1; SMN2
SCHEMBL14103286 0.84 ALDH1A1 (0.45) HPGDKDM4ELMNAALDH1A1TSHR
SCHEMBL4883942 0.83 POLB (0.47) KDM4ELMNAALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL4894751 0.80 POLB (0.43) KDM4ELMNAALDH1A1TSHRGAA
SCHEMBL4896082 0.79 POLB (0.43) KDM4ELMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL21067812 0.79 ALDH1A1 (0.45) HPGDKDM4ELMNAALDH1A1TSHR
SCHEMBL4882712 0.78 HTT (0.47) HPGDKDM4ELMNAALDH1A1TSHR
SCHEMBL4882718 0.78 KDM4E (0.55) KDM4EALDH1A1GAASMN1; SMN2L3MBTL1

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 HPGD 1356/4885KDM4E 2519/4885LMNA 3432/4885

“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.