SCHEMBL4892636

SCHEMBL4892636

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

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.45
HTT P42858 3/20 0.45
NPSR1 Q6W5P4 2/20 0.45
KDM4E B2RXH2 5/20 0.43
ALDH1A1 P00352 7/20 0.41
POLB P06746 2/20 0.41
HPGD P15428 3/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
GAA P10253 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
MAPT P10636 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39

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
SCHEMBL4886246 0.89 KDM4E (0.44) LMNAHTTNPSR1KDM4EALDH1A1
SCHEMBL4892479 0.88 KDM4E (0.44) LMNAHTTNPSR1KDM4EALDH1A1
SCHEMBL4889448 0.86 HPGD (0.42) LMNAHTTNPSR1KDM4EALDH1A1
SCHEMBL4896087 0.85 HTT (0.64) LMNAHTTNPSR1KDM4EALDH1A1
SCHEMBL14087731 0.84 POLB (0.46) LMNAKDM4EALDH1A1POLBHPGD
SCHEMBL4887134 0.84 HPGD (0.47) LMNAHTTNPSR1KDM4EALDH1A1
SCHEMBL4884321 0.84 KDM4E (0.47) LMNAHTTKDM4EALDH1A1POLB
SCHEMBL4893569 0.82 POLB (0.40) LMNAHTTNPSR1KDM4EALDH1A1
SCHEMBL4882718 0.82 KDM4E (0.55) KDM4EALDH1A1POLBMEN1KMT2A
SCHEMBL14087733 0.82 POLB (0.48) LMNAHTTKDM4EALDH1A1POLB

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 4 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
WO-2008098859-A1 HCV POLYMERASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-08-21 WO 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 LMNA 3432/4885HTT 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.