SCHEMBL4892008

SCHEMBL4892008

CC(=O)N[C@@H]1CCN(CC(=O)Nc2ccc(C#Cc3ccc(C(=O)N[C@H](CN)ONO)cc3)cc2)C1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.41
CHRM3 P20309 5/20 0.41
CHRM2 P08172 1/20 0.41
NPC1 O15118 2/20 0.39
RAB9A P51151 1/20 0.39
HRH2 P25021 1/20 0.39
HRH1 P35367 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
POLB P06746 3/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ACACB O00763 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TSHR P16473 1/20 0.36
MAPK10 P53779 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
SCHEMBL13654942 0.88 CHRM3 (0.42) L3MBTL1CHRM3CHRM2NPC1RAB9A
SCHEMBL404609 0.88 CHRM3 (0.42) L3MBTL1CHRM3CHRM2NPC1RAB9A
SCHEMBL13654913 0.83 CHRM2 (0.42) CHRM3CHRM2
SCHEMBL403192 0.83 CHRM2 (0.42) CHRM3CHRM2
SCHEMBL436956 0.83 CHRM2 (0.42) CHRM3CHRM2
SCHEMBL1109142 0.80 DRD2 (0.42) L3MBTL1CHRM3CHRM2NPC1RAB9A
SCHEMBL1109460 0.75 ALDH1A1 (0.41) L3MBTL1CHRM3CHRM2NPC1RAB9A
SCHEMBL13659485 0.75 ALDH1A1 (0.41) L3MBTL1CHRM3CHRM2NPC1RAB9A
SCHEMBL1912207 0.75 ALDH1A1 (0.41) L3MBTL1CHRM3CHRM2NPC1RAB9A
SCHEMBL400311 0.74 L3MBTL1 (0.40) L3MBTL1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7358359-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2008-04-15 US disclosed
US-20060154988-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2006-07-13 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-20060154988-A1 Antibacterial agents MRPL21, SI, PGLS L3MBTL1 2665/4885CHRM3 4831/4885CHRM2 4835/4885

“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.