SCHEMBL5730751

SCHEMBL5730751

[CH2]Cn1cnc(C(=O)NC)c1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 1/20 0.43
BAZ2B Q9UIF8 1/20 0.38
USP30 Q70CQ3 2/20 0.36
MAP3K5 Q99683 1/20 0.35
KLKB1 P03952 2/20 0.34
BRD4 O60885 2/20 0.33
TBXAS1 P24557 1/20 0.33
CNR1 P21554 1/20 0.33
PLK1 P53350 1/20 0.33
F10 P00742 1/20 0.32

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
SCHEMBL16566390 0.84 SMYD3 (0.57) SMYD3BAZ2BUSP30MAP3K5KLKB1
SCHEMBL4891287 0.79 MEN1 (0.44) SMYD3
SCHEMBL4901656 0.78 PLA2G4A (0.39) SMYD3USP30
SCHEMBL19017622 0.78 USP30 (0.55) SMYD3BAZ2BUSP30BRD4CNR1
SCHEMBL28726420 0.77 ADA (0.42) SMYD3USP30
SCHEMBL18377475 0.76 KLKB1 (0.56) USP30KLKB1BRD4
SCHEMBL1662858 0.74 BAZ2B (0.46) SMYD3BAZ2BBRD4CNR1
SCHEMBL9714265 0.73 RIPK1 (0.42) SMYD3KLKB1
SCHEMBL19980440 0.71 SMYD3 (0.40) SMYD3BAZ2BUSP30KLKB1BRD4
SCHEMBL16543478 0.70 BAZ2B (0.39) SMYD3BAZ2BBRD4CNR1PLK1

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
CN-1894206-A N-substituted N-sulfonylaminocyclopropane compounds and pharmaceutical use thereof JAPAN TOBACCO INC (JP) 2007-01-10 CN disclosed
EP-1694638-A1 N-SUBSTITUTED-N-SULFONYLAMINOCYCLOPROPANE COMPOUNDS AND PHARMACEUTICAL USE THEREOF Japan Tobacco, Inc. (JP) 2006-08-30 EP disclosed
US-20050222146-A1 N-substituted-n-sulfonylaminocyclopropane compounds and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2005-10-06 US disclosed
WO-2005058808-A1 N-SUBSTITUTED-N-SULFONYLAMINOCYCLOPROPANE COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2005-06-30 WO 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-20050222146-A1 N-substituted-n-sulfonylaminocyclopropane compounds and pharmaceutical use thereof MMP13, MMP11, MMP1 SMYD3 921/4885BAZ2B 1755/4885USP30 2747/4885

“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.