SCHEMBL4886246

SCHEMBL4886246

CC(=O)NCC(=O)Nc1ccc(Br)cc1C(=O)N1C[C@H](C)C[C@H](C)C1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
HTT P42858 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
ALDH1A1 P00352 5/20 0.43
POLB P06746 2/20 0.43
HPGD P15428 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
LMNA P02545 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 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
SCHEMBL4893569 0.92 POLB (0.40) KDM4EHTTNPSR1ALDH1A1POLB
SCHEMBL4892479 0.90 KDM4E (0.44) KDM4EHTTNPSR1ALDH1A1POLB
SCHEMBL14102822 0.89 KDM4E (0.43) KDM4EHTTNPSR1ALDH1A1POLB
SCHEMBL4892636 0.89 LMNA (0.45) KDM4EHTTNPSR1ALDH1A1POLB
SCHEMBL4898755 0.88 L3MBTL1 (0.42) KDM4ENPSR1ALDH1A1HPGDL3MBTL1
SCHEMBL4889448 0.88 HPGD (0.42) KDM4EHTTNPSR1ALDH1A1POLB
SCHEMBL4883870 0.87 ALDH1A1 (0.48) KDM4ENPSR1ALDH1A1L3MBTL1MEN1
SCHEMBL4887425 0.87 L3MBTL1 (0.42) KDM4ENPSR1ALDH1A1HPGDL3MBTL1
SCHEMBL4896087 0.87 HTT (0.64) KDM4EHTTNPSR1ALDH1A1POLB
SCHEMBL4887134 0.86 HPGD (0.47) KDM4EHTTNPSR1ALDH1A1POLB

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 2519/4885HTT 2341/4885NPSR1 2465/4885

“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.