SCHEMBL4892541

SCHEMBL4892541

CC(=O)N1CCN(C(=O)CCC(=O)Nc2ccc(Br)cc2C(=O)N2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)CC1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
MAPK1 P28482 2/20 0.37
KDM4E B2RXH2 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TSHR P16473 1/20 0.36
KMT2A Q03164 4/20 0.36
ALDH1A1 P00352 5/20 0.35
MEN1 O00255 3/20 0.35
LMNA P02545 2/20 0.35
GAA P10253 2/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP3A4 P08684 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL4894518 0.93 TSHR (0.39) POLBMAPK1KDM4ETDP1TSHR
SCHEMBL14102812 0.91 POLB (0.37) POLBMAPK1KDM4ETDP1TSHR
SCHEMBL4884249 0.91 KMT2A (0.43) POLBMAPK1KDM4ETDP1KMT2A
SCHEMBL4890196 0.89 MAPK1 (0.37) POLBMAPK1KDM4ETDP1KMT2A
SCHEMBL4894280 0.89 ALDH1A1 (0.43) POLBMAPK1KDM4ETDP1TSHR
SCHEMBL4894751 0.87 POLB (0.43) POLBMAPK1KDM4ETDP1TSHR
SCHEMBL14103287 0.85 HRH4 (0.35) KDM4ETSHRKMT2AALDH1A1MEN1
SCHEMBL4892495 0.84 POLB (0.40) POLBMAPK1KDM4ETDP1KMT2A
SCHEMBL4886249 0.82 POLB (0.41) POLBMAPK1KDM4ETDP1TSHR
SCHEMBL4891474 0.81 HPGD (0.42) POLBKDM4ETSHRALDH1A1LMNA

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 POLB 79/4885MAPK1 3579/4885KDM4E 2519/4885

“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.