SCHEMBL16896210

SCHEMBL16896210

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

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 8/20 0.68
▸ MAPT P10636 8/20 0.68
▸ LMNA P02545 4/20 0.68
▸ POLB P06746 3/20 0.65
▸ MEN1 O00255 1/20 0.64
▸ KMT2A Q03164 1/20 0.64
▸ KDM4E B2RXH2 2/20 0.63
▸ ALDH1A1 P00352 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
SCHEMBL16896220 0.88 TP53 (0.68) TP53MAPTLMNAPOLBMEN1
SCHEMBL16896230 0.88 TP53 (0.73) TP53MAPTLMNAPOLBMEN1
SCHEMBL16896231 0.88 POLB (0.68) TP53MAPTLMNAPOLBMEN1
SCHEMBL16896113 0.88 LMNA (0.68) TP53MAPTLMNAPOLBMEN1
SCHEMBL16896033 0.87 LMNA (0.70) TP53MAPTLMNAPOLBALDH1A1
SCHEMBL16896044 0.87 POLB (0.67) TP53MAPTLMNAPOLBMEN1
SCHEMBL16896201 0.85 TP53 (0.69) TP53MAPTLMNAPOLBMEN1
SCHEMBL16896205 0.85 TP53 (0.64) TP53MAPTLMNAPOLBMEN1
SCHEMBL16903565 0.83 MAPT (0.80) TP53MAPTLMNA
SCHEMBL23482844 0.83 TP53 (0.63) TP53MAPTLMNAPOLBMEN1

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 TP53 1455/4885MAPT 3892/4885LMNA 1484/4885

“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.

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