SCHEMBL4892495

SCHEMBL4892495

CN(C)C(=O)CCC(=O)Nc1ccc(Br)cc1C(=O)N1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.40
MAPK1 P28482 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 4/20 0.35
HSD17B10 Q99714 1/20 0.34
FPR3 P25089 1/20 0.34
FPR2 P25090 1/20 0.34
THRB P10828 1/20 0.33
GAA P10253 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GRK2 P25098 2/20 0.32
CTDSP1 Q9GZU7 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
DNMT1 P26358 1/20 0.32
RECQL P46063 1/20 0.32

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
SCHEMBL4886327 0.86 POLB (0.46) POLBMAPK1TDP1KDM4EALDH1A1
SCHEMBL4892541 0.84 POLB (0.39) POLBMAPK1TDP1KDM4EALDH1A1
SCHEMBL4894518 0.84 TSHR (0.39) POLBMAPK1TDP1KDM4EALDH1A1
SCHEMBL4884249 0.84 KMT2A (0.43) POLBMAPK1TDP1KDM4EALDH1A1
SCHEMBL4894280 0.82 ALDH1A1 (0.43) POLBMAPK1TDP1KDM4EALDH1A1
SCHEMBL4890196 0.82 MAPK1 (0.37) POLBMAPK1TDP1KDM4EALDH1A1
SCHEMBL4887377 0.81 POLB (0.43) POLBMAPK1TDP1KDM4EALDH1A1
SCHEMBL4891474 0.79 HPGD (0.42) POLBKDM4EALDH1A1HSD17B10GAA
SCHEMBL4883942 0.77 POLB (0.47) POLBMAPK1TDP1KDM4EALDH1A1
SCHEMBL14103287 0.76 HRH4 (0.35) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2

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
WO-2008098859-A1 HCV POLYMERASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-08-21 WO 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 3579/4885TDP1 3918/4885

“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.