SCHEMBL4894528

SCHEMBL4894528

C[C@@H]1C[C@H](C)CN(C(=O)c2cc(Br)ccc2NC(=O)CCC(=O)c2ccccn2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
MAPK1 P28482 2/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 4/20 0.39
KDM4E B2RXH2 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
GRM5 P41594 1/20 0.39
CTNNB1 P35222 2/20 0.39
WNT3A P56704 2/20 0.39
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
MEN1 O00255 3/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
OPRK1 P41145 1/20 0.37
GAA P10253 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36

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
SCHEMBL4884230 0.89 MAPT (0.43) MAPTKMT2AGRM5CTNNB1WNT3A
SCHEMBL4896576 0.86 HTT (0.46) MAPTPOLBKMT2ATDP1GRM5
SCHEMBL4893232 0.83 PKM (0.45) MAPK1POLBKMT2AKDM4ETDP1
SCHEMBL4882718 0.82 KDM4E (0.55) MAPK1POLBKMT2AKDM4ETDP1
SCHEMBL14087733 0.82 POLB (0.48) MAPTMAPK1POLBKMT2AKDM4E
SCHEMBL4893113 0.81 POLB (0.47) MAPTMAPK1POLBKMT2AKDM4E
SCHEMBL4893793 0.81 MAPK1 (0.44) MAPTMAPK1POLBKMT2AKDM4E
SCHEMBL4894874 0.81 KMT2A (0.53) MAPTPOLBKMT2AKDM4EALDH1A1
SCHEMBL4894266 0.81 MAPK1 (0.44) MAPTMAPK1POLBKMT2AKDM4E
SCHEMBL14087731 0.81 POLB (0.46) MAPTMAPK1POLBKMT2AKDM4E

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 MAPT 3976/4885MAPK1 3579/4885POLB 79/4885

“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.