SCHEMBL4882730

SCHEMBL4882730

C[C@@H]1C[C@H](C)CN(C(=O)N(C(=O)CNC(=O)c2cccnc2)c2ccc(Br)cc2)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.42
KMT2A Q03164 6/20 0.40
DPP4 P27487 1/20 0.39
PREP P48147 1/20 0.39
FAP Q12884 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
KDM4E B2RXH2 3/20 0.39
MAPT P10636 1/20 0.39
GFER P55789 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GAA P10253 3/20 0.38
MEN1 O00255 3/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
RAB9A P51151 1/20 0.38
MMP2 P08253 1/20 0.38
ANPEP P15144 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
SCHEMBL4892456 0.93 THRB (0.38) THRBKMT2ADPP4PREPFAP
SCHEMBL4893181 0.92 THRB (0.43) THRBKMT2ADPP4PREPFAP
SCHEMBL4894897 0.92 KMT2A (0.44) THRBKMT2ADPP4PREPFAP
SCHEMBL4883922 0.89 RAB9A (0.50) THRBKMT2ADPP4PREPFAP
SCHEMBL4886348 0.89 KMT2A (0.48) THRBKMT2AKDM4EGAAMEN1
SCHEMBL4896093 0.88 KMT2A (0.46) KMT2AKDM4EMEN1ALDH1A1
SCHEMBL4895131 0.87 THRB (0.41) THRBKMT2ADPP4PREPFAP
SCHEMBL4887013 0.81 KMT2A (0.40) KMT2AKDM4EMAPTNPSR1MEN1
SCHEMBL4892647 0.79 KDM4E (0.45) KMT2AKDM4ENPSR1GAAMEN1
SCHEMBL4892997 0.79 KMT2A (0.46) KMT2AKDM4EMEN1ALDH1A1

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 1 patent. 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

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 THRB 4137/4885KMT2A 2650/4885DPP4 806/4885

“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.