SCHEMBL19170334

SCHEMBL19170334

COS(=O)(=O)N1CCC(Cn2ncc([N+](C)=O)c2C)CC1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.33
NPBWR1 P48145 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MCOLN3 Q8TDD5 1/20 0.32
PTGS2 P35354 1/20 0.30
FPR2 P25090 1/20 0.30
PROKR1 Q8TCW9 1/20 0.30
EED O75530 1/20 0.30
RBBP4 Q09028 1/20 0.30
SUZ12 Q15022 1/20 0.30
EZH2 Q15910 1/20 0.30
AEBP2 Q6ZN18 1/20 0.30
CRHR1 P34998 1/20 0.30

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
SCHEMBL19170954 0.91 LMNA (0.34) LMNANPBWR1ALDH1A1MCOLN3EED
SCHEMBL19163453 0.91 MCOLN3 (0.40) LMNAALDH1A1MCOLN3
SCHEMBL17458949 0.77 PKM (0.45) LMNAALDH1A1MCOLN3
SCHEMBL19222890 0.71 CRHR1 (0.39) LMNAALDH1A1CRHR1
SCHEMBL19170898 0.70 CRHR1 (0.39) LMNAFPR2PROKR1CRHR1
SCHEMBL6155541 0.70 LMNA (0.40) LMNANPBWR1ALDH1A1MCOLN3PTGS2
SCHEMBL17458924 0.69 LMNA (0.40) LMNAALDH1A1PTGS2
SCHEMBL19170534 0.69 LMNA (0.47) LMNANPBWR1ALDH1A1PTGS2EED
SCHEMBL17458967 0.69 LMNA (0.44) LMNANPBWR1MCOLN3PTGS2
SCHEMBL19170350 0.67 KDM4E (0.43)

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-20170210738-A1 GLUCOSE TRANSPORT INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-07-27 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-20170210738-A1 GLUCOSE TRANSPORT INHIBITORS SLC2A1, SLC2A2, SLC2A4 LMNA 2878/4885NPBWR1 4025/4885ALDH1A1 325/4885

“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.