SCHEMBL16896100

SCHEMBL16896100

O=C(CSc1nc2c([nH]c3ccccc32)c(=O)n1-c1ccccc1)NC1CCCCC1

nearest known ligand 0.87

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 8/20 0.87
TP53 P04637 7/20 0.87
TLR4 O00206 2/20 0.73
POLB P06746 3/20 0.69
MEN1 O00255 1/20 0.69
KMT2A Q03164 1/20 0.69
MAPT P10636 2/20 0.63

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
SCHEMBL16896094 1.00 LMNA (0.87) LMNATP53TLR4POLBMEN1
SCHEMBL16896209 1.00 LMNA (0.87) LMNATP53TLR4POLBMEN1
SCHEMBL16896049 0.99 LMNA (0.85) LMNATP53TLR4POLBMEN1
SCHEMBL16896219 0.97 LMNA (0.82) LMNATP53TLR4POLBMEN1
SCHEMBL16896232 0.92 LMNA (0.75) LMNATP53TLR4POLBMEN1
SCHEMBL19507992 0.91 LMNA (0.73) LMNATP53TLR4POLBMEN1
SCHEMBL16896106 0.91 TP53 (0.81) LMNATP53TLR4POLBMEN1
SCHEMBL16896225 0.88 LMNA (0.74) LMNATP53TLR4POLBMEN1
SCHEMBL16896047 0.88 LMNA (0.74) LMNATP53TLR4POLBMEN1
SCHEMBL16896199 0.85 LMNA (0.68) LMNATP53TLR4MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210299286-A1 TETRAZINES FOR HIGH CLICK CONJUGATION YIELD IN VIVO AND HIGH CLICK RELEASE YIELD TAGWORKS PHARMACEUTICALS B.V. (NL) 2021-09-30 US disclosed
US-20210299286-A1 TETRAZINES FOR HIGH CLICK CONJUGATION YIELD IN VIVO AND HIGH CLICK RELEASE YIELD TAGWORKS PHARMACEUTICALS B.V. (NL) 2021-09-30 US disclosed
EP-3787691-A1 TETRAZINES FOR HIGH CLICK CONJUGATION YIELD IN VIVO AND HIGH CLICK RELEASE YIELD Tagworks Pharmaceuticals B.V. (NL) 2021-03-10 EP disclosed
US-20180110784-A1 SYNTHETIC TLR4 AND TLR7 LIGANDS TO PREVENT, INHIBIT OR TREAT LIVER DISEASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2018-04-26 US disclosed
US-20180110784-A1 SYNTHETIC TLR4 AND TLR7 LIGANDS TO PREVENT, INHIBIT OR TREAT LIVER DISEASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2018-04-26 US disclosed
US-9505768-B2 Compositions and methods for modulating TLR4 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-11-29 US disclosed
US-9505768-B2 Compositions and methods for modulating TLR4 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-11-29 US disclosed
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
US-20150197527-A1 COMPOSITIONS AND METHODS FOR MODULATING TLR4 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2015-07-16 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 (3 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-20180110784-A1 SYNTHETIC TLR4 AND TLR7 LIGANDS TO PREVENT, INHIBIT OR TREAT LIVER DISEASE TLR4, TLR9, TLR1 LMNA 1948/4885TP53 2145/4885TLR4 1/4885
US-20150197527-A1 COMPOSITIONS AND METHODS FOR MODULATING TLR4 TLR4, TLR3, TLR6 LMNA 1484/4885TP53 1455/4885TLR4 1/4885
US-20210299286-A1 TETRAZINES FOR HIGH CLICK CONJUGATION YIELD IN VIVO AND HIGH CLICK RELEASE YIELD FCER2, SQLE, TTL LMNA 4762/4885TP53 4730/4885TLR4 553/4885

“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.