SCHEMBL16896202

SCHEMBL16896202

N#CCn1c2ccccc2c2nc(SCC(=O)NC3CCCCC3)n(-c3ccccc3)c(=O)c21

nearest known ligand 0.76

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 8/20 0.76
LMNA P02545 4/20 0.57
TP53 P04637 3/20 0.57
KDM4E B2RXH2 1/20 0.56
MEN1 O00255 1/20 0.56
USP2 O75604 1/20 0.56
ALDH1A1 P00352 1/20 0.56
HTT P42858 1/20 0.56
KMT2A Q03164 1/20 0.56
APOBEC3A P31941 1/20 0.54
APOBEC3G Q9HC16 1/20 0.54
IGSF11 Q5DX21 1/20 0.53

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
SCHEMBL16896088 0.89 TLR4 (0.76) TLR4LMNATP53KDM4EMEN1
SCHEMBL16896196 0.89 TLR4 (0.81) TLR4LMNATP53KDM4EMEN1
SCHEMBL16906386 0.89 TLR4 (0.79) TLR4LMNATP53KDM4EMEN1
SCHEMBL16903569 0.87 TLR4 (0.79) TLR4LMNATP53KDM4EMEN1
SCHEMBL29548800 0.86 TLR4 (1.00) TLR4LMNATP53KDM4EMEN1
SCHEMBL16896193 0.86 TLR4 (1.00) TLR4LMNATP53KDM4EMEN1
SCHEMBL16896110 0.86 TLR4 (0.78) TLR4LMNATP53KDM4EMEN1
SCHEMBL16896133 0.86 TLR4 (0.77) TLR4LMNATP53KDM4EMEN1
SCHEMBL16896206 0.85 TLR4 (0.53) TLR4LMNATP53MEN1ALDH1A1
SCHEMBL16896224 0.84 TLR4 (0.75) TLR4LMNATP53KDM4EMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9505768-B2 Compositions and methods for modulating TLR4 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-11-29 US disclosed
US-20150197527-A1 COMPOSITIONS AND METHODS FOR MODULATING TLR4 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2015-07-16 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-20150197527-A1 COMPOSITIONS AND METHODS FOR MODULATING TLR4 TLR4, TLR3, TLR6 TLR4 1/4885LMNA 1484/4885TP53 1455/4885

“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.