SCHEMBL22009906

SCHEMBL22009906

CC(C)C(=O)C(N)Cc1ccccc1NC(=N)N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 3/20 0.54
NOS1 P29475 3/20 0.54
NOS2 P35228 3/20 0.54
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 3/20 0.41
POLB P06746 2/20 0.41
MAPT P10636 2/20 0.40
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
GAA P10253 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
MDM4 O15151 1/20 0.36
TP53 P04637 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
SCHEMBL20715035 0.87 NOS3 (0.56) NOS3NOS1NOS2L3MBTL1ALDH1A1
SCHEMBL26912720 0.85 NOS3 (0.68) NOS3NOS1NOS2L3MBTL1ALDH1A1
SCHEMBL4558495 0.85 NOS3 (0.68) NOS3NOS1NOS2L3MBTL1ALDH1A1
SCHEMBL29588178 0.85 NOS3 (0.68) NOS3NOS1NOS2L3MBTL1ALDH1A1
Hydrochloric Acid SCHEMBL31250698 0.78 NOS3 (0.42) NOS3NOS1NOS2L3MBTL1ALDH1A1
SCHEMBL24260600 0.78 L3MBTL1 (0.44) NOS3NOS1NOS2L3MBTL1ALDH1A1
SCHEMBL8029769 0.76 MAPT (0.59) ALDH1A1POLBMAPTGRIN2DGRIN3B
SCHEMBL22009941 0.75 ITGB3 (0.39) MAPTGAA
SCHEMBL8423456 0.75 NOS3 (0.67) NOS3NOS1NOS2L3MBTL1ALDH1A1
SCHEMBL8423459 0.75 NOS3 (0.67) NOS3NOS1NOS2L3MBTL1ALDH1A1

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-20200157144-A1 ANTIMICROBIAL PEPTIDOMIMETICS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2020-05-21 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-20200157144-A1 ANTIMICROBIAL PEPTIDOMIMETICS NGLY1, GLMN, GMPS NOS3 1284/4885NOS1 753/4885NOS2 1249/4885

“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.