SCHEMBL16896232

SCHEMBL16896232

O=C(CSc1nc2c([nH]c3ccccc32)c(=O)n1-c1ccccc1)NC1CCNCC1

nearest known ligand 0.75

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 8/20 0.75
TP53 P04637 7/20 0.75
MEN1 O00255 1/20 0.65
KMT2A Q03164 1/20 0.65
POLB P06746 3/20 0.64
MAPT P10636 3/20 0.62
TLR4 O00206 1/20 0.62

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
SCHEMBL16896219 0.93 LMNA (0.82) LMNATP53MEN1KMT2APOLB
SCHEMBL16896049 0.93 LMNA (0.85) LMNATP53MEN1KMT2APOLB
SCHEMBL16896094 0.92 LMNA (0.87) LMNATP53MEN1KMT2APOLB
SCHEMBL16896100 0.92 LMNA (0.87) LMNATP53MEN1KMT2APOLB
SCHEMBL16896209 0.92 LMNA (0.87) LMNATP53MEN1KMT2APOLB
SCHEMBL19507992 0.90 LMNA (0.73) LMNATP53MEN1KMT2APOLB
SCHEMBL19507016 0.84 LMNA (0.65) LMNATP53MEN1KMT2APOLB
SCHEMBL16896106 0.83 TP53 (0.81) LMNATP53MEN1KMT2APOLB
SCHEMBL16903565 0.82 MAPT (0.80) LMNATP53MAPT
SCHEMBL16896188 0.82 POLB (0.76) LMNATP53KMT2APOLBMAPT

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 LMNA 1484/4885TP53 1455/4885MEN1 4879/4885

“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.