SCHEMBL13409279

SCHEMBL13409279

CN(C)CCNc1cnc(-n2ccc3cc(N(CC(=O)O)Sc4cc(Cl)cc(Cl)c4)ccc32)cn1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 2/20 0.36
SIGMAR1 Q99720 2/20 0.36
IRAK4 Q9NWZ3 1/20 0.32
MAPT P10636 1/20 0.31
DGAT1 O75907 1/20 0.31
PIM1 P11309 1/20 0.30
CCNE1 P24864 1/20 0.30
CDK2 P24941 1/20 0.30
HSF1 Q00613 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 1/20 0.30
RET P07949 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
SCHEMBL13409602 0.95 TMEM97 (0.35) TMEM97SIGMAR1IRAK4DGAT1KDM4E
SCHEMBL13409214 0.95 TMEM97 (0.34) TMEM97SIGMAR1IRAK4
SCHEMBL13409216 0.91 TMEM97 (0.35) TMEM97SIGMAR1MAPTCCNE1CDK2
SCHEMBL13409218 0.91 TMEM97 (0.35) TMEM97SIGMAR1MAPTCCNE1CDK2
SCHEMBL13409689 0.90 KDM4E (0.36) TMEM97SIGMAR1IRAK4DGAT1CCNE1
SCHEMBL13409197 0.88 TMEM97 (0.33) TMEM97SIGMAR1
SCHEMBL13409128 0.86 TMEM97 (0.33) TMEM97SIGMAR1IRAK4DGAT1
SCHEMBL13409597 0.84 DGAT1 (0.30) DGAT1
SCHEMBL3295567 0.84 TMEM97 (0.33) TMEM97SIGMAR1IRAK4MAPT
SCHEMBL13409441 0.83

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-20100093703-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 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-20100093703-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS PYGL, PYGM, G6PC1 TMEM97 3706/4885SIGMAR1 840/4885IRAK4 2516/4885

“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.