SCHEMBL1109571

SCHEMBL1109571

CNC(C)C(NC(=O)c1ccc(-c2ccc(NC(=O)CNC3CCC3)cc2)cc1)C(=O)NO

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
PDE4A P27815 2/20 0.41
PDE4B Q07343 2/20 0.41
PDE4C Q08493 2/20 0.41
PDE4D Q08499 2/20 0.41
KDM4E B2RXH2 3/20 0.40
GAA P10253 2/20 0.40
LMNA P02545 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MGLL Q99685 1/20 0.40
POLB P06746 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
PTPN1 P18031 1/20 0.38
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 1/20 0.36
HDAC1 Q13547 1/20 0.36
NPC1 O15118 1/20 0.36
NFKB1 P19838 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
SCHEMBL1109264 0.93 MEN1 (0.49) MEN1KMT2APDE4APDE4BPDE4C
SCHEMBL404839 0.92 MEN1 (0.47) MEN1KMT2APDE4APDE4BPDE4C
SCHEMBL1109388 0.91 MEN1 (0.51) MEN1KMT2APDE4APDE4BPDE4C
SCHEMBL1195831 0.90 MEN1 (0.50) MEN1KMT2APDE4APDE4BPDE4C
SCHEMBL1912158 0.89 MEN1 (0.54) MEN1KMT2APDE4APDE4BPDE4C
SCHEMBL1109201 0.88 MEN1 (0.55) MEN1KMT2APDE4APDE4BPDE4C
SCHEMBL1109153 0.88 MEN1 (0.55) MEN1KMT2APDE4APDE4BPDE4C
SCHEMBL1109405 0.88 MEN1 (0.55) MEN1KMT2APDE4APDE4BPDE4C
SCHEMBL10285974 0.88 MEN1 (0.47) MEN1KMT2APDE4APDE4BPDE4C
SCHEMBL1109208 0.87 MEN1 (0.47) MEN1KMT2APDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153843-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2012-04-10 US disclosed
US-20100324025-A1 Antibacterial Agents UNIVERSITY OF WASHINGTON (US) 2010-12-23 US disclosed
US-7358359-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2008-04-15 US disclosed
US-20070244197-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 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 (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-20070244197-A1 Antibacterial agents MRPL21, SI, PGLS MEN1 2414/4885KMT2A 4800/4885PDE4A 1478/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS MEN1 2414/4885KMT2A 4800/4885PDE4A 1478/4885

“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.