SCHEMBL2054844

SCHEMBL2054844

CC(C)(C)OC(=O)NCCCc1nc2c(OCc3ccccc3)nc(N)nc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.43
MGMT P16455 2/20 0.41
MPO P05164 1/20 0.41
TPO P07202 1/20 0.41
CYP3A4 P08684 1/20 0.41
EPX P11678 1/20 0.41
MAPT P10636 2/20 0.40
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MEN1 O00255 1/20 0.39
RECQL P46063 1/20 0.39
KMT2A Q03164 1/20 0.39
SIGMAR1 Q99720 2/20 0.39
BCHE P06276 1/20 0.39
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA12 O43570 2/20 0.38
CA9 Q16790 2/20 0.38
IDO1 P14902 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
SCHEMBL2097032 0.92 CA1 (0.39) L3MBTL1MPOBCHECA1CA2
SCHEMBL2054842 0.87 PIN1 (0.51) L3MBTL1MPOMAPTPOLBNPSR1
SCHEMBL2056440 0.85 CA1 (0.43) MEN1KMT2ABCHECA1CA2
SCHEMBL2054806 0.80 STK17B (0.42) NPSR1MEN1KMT2ABCHECA1
SCHEMBL8006001 0.77 MPO (0.51) L3MBTL1MGMTMPOTPOCYP3A4
SCHEMBL14404995 0.77 TDP1 (0.38) NPSR1MEN1KMT2ABCHECA1
SCHEMBL2054840 0.75 MGMT (0.41) MGMTMPOTPOCYP3A4EPX
SCHEMBL2054792 0.74 CACNA1H (0.35) NPSR1MEN1KMT2ABCHECA1
SCHEMBL14383622 0.73 CDK1 (0.47) L3MBTL1MGMTCYP3A4MAPTNPSR1
SCHEMBL2054834 0.73 TDP1 (0.40) NPSR1MEN1KMT2ABCHECA1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163479-B2 Specific substrates for O6-alkylguanine-DNA alkyltransferase ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (CH) 2012-04-24 US disclosed
US-20070243568-A1 Specific Substrates for O6-Alkylguanine-Dna Alkyltransferase EPFL ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (CH) 2007-10-18 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-20070243568-A1 Specific Substrates for O6-Alkylguanine-Dna Alkyltransferase AGT, AGXT, AGTR1 L3MBTL1 32/4885MGMT 303/4885MPO 3210/4885

“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.