SCHEMBL948908

SCHEMBL948908

CC(=O)N[C@H](C(=O)OCc1ncc2n1C(=O)N(C1CCN(C(=O)OC(C)(C)C)CC1)C2)C(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.37
NR3C1 P04150 3/20 0.36
TP53 P04637 1/20 0.36
F10 P00742 3/20 0.36
F2 P00734 2/20 0.36
ALDH1A1 P00352 4/20 0.36
MAPT P10636 4/20 0.36
MAPK1 P28482 4/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
NPSR1 Q6W5P4 3/20 0.36
POLB P06746 2/20 0.36
NTSR1 P30989 1/20 0.35
HCAR1 Q9BXC0 1/20 0.35
GPR119 Q8TDV5 1/20 0.35
FPR2 P25090 1/20 0.34
YAP1 P46937 1/20 0.34
NPC1 O15118 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL948437 0.84 L3MBTL1 (0.41) L3MBTL1NR3C1TP53F10F2
SCHEMBL948472 0.83 F10 (0.38) L3MBTL1NR3C1TP53F10F2
SCHEMBL949369 0.82 F2 (0.37) L3MBTL1NR3C1TP53F10F2
SCHEMBL947633 0.81 F10 (0.50) NR3C1TP53F10F2MAPT
SCHEMBL948092 0.81 TP53 (0.44) NR3C1TP53F10F2MAPT
SCHEMBL948621 0.80 EPHX1 (0.48) L3MBTL1TP53F10F2ALDH1A1
SCHEMBL948889 0.80 TP53 (0.43) NR3C1TP53F10F2MAPT
SCHEMBL950492 0.80 TP53 (0.40) NR3C1TP53F10F2MAPT
SCHEMBL948188 0.79 HCAR1 (0.37) NR3C1TP53F10F2MAPT
SCHEMBL948337 0.79 F10 (0.37) NR3C1TP53F10F2MAPT

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-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-13 US disclosed
US-20070004736-A1 Imidazole derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-04 US disclosed
EP-1564213-A1 IMIDAZOLE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Pharmaceutical Company Limited (JP) 2005-08-17 EP 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 (2 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-20070004736-A1 Imidazole derivative, process for producing the same, and use HRH4, F2, HRH2 L3MBTL1 2949/4885NR3C1 1685/4885TP53 4661/4885
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE F2, H1-3, CYC1 L3MBTL1 2955/4885NR3C1 1550/4885TP53 4591/4885

“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.