SCHEMBL22010046

SCHEMBL22010046

CC(C)(C)Nc1ccc(NC(=N)N)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.39
F2 P00734 2/20 0.38
PRSS1 P07477 2/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
TMPRSS6 Q8IU80 1/20 0.38
ST14 Q9Y5Y6 1/20 0.38
KIF11 P52732 2/20 0.38
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
HTT P42858 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ALDH1A1 P00352 3/20 0.34
GAA P10253 3/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL27113739 0.94 KIF11 (0.46) L3MBTL1F2PRSS1PRSS2PRSS3
SCHEMBL1996992 0.82 F2 (0.50) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL20625993 0.81 CYP1A2 (0.40) L3MBTL1KMT2AMEN1RAB9AALDH1A1
SCHEMBL27113737 0.81 CNR1 (0.44) KIF11
SCHEMBL6858733 0.79 KIF11 (0.59) KIF11KMT2AMEN1HTTNPC1
SCHEMBL15371169 0.79 PRSS1 (0.52) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL23987229 0.77 MAPT (0.42) L3MBTL1F2PRSS1PRSS2PRSS3
SCHEMBL14107831 0.77 KIF11 (0.41) L3MBTL1F2PRSS1PRSS2PRSS3
SCHEMBL4603900 0.76 IDO1 (0.39) L3MBTL1KMT2AMEN1HTTNPC1
SCHEMBL22010458 0.76 EPHX2 (0.39) L3MBTL1KMT2AMEN1NPC1RAB9A

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 L3MBTL1 473/4885F2 4017/4885PRSS1 2829/4885

“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.