SCHEMBL20089845

SCHEMBL20089845

C/C=C(\C)NC(=O)CSc1nc2c([nH]c3ccccc32)c(=O)n1-c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 5/20 0.68
▸ TP53 P04637 9/20 0.66
▸ MAPT P10636 8/20 0.66
▸ POLB P06746 4/20 0.64
▸ 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
SCHEMBL16896230 0.86 TP53 (0.73) LMNATP53MAPTPOLBALDH1A1
SCHEMBL16896033 0.85 LMNA (0.70) LMNATP53MAPTPOLBALDH1A1
SCHEMBL16903565 0.85 MAPT (0.80) LMNATP53MAPT
SCHEMBL16896188 0.84 POLB (0.76) LMNATP53MAPTPOLBALDH1A1
SCHEMBL16896197 0.83 LMNA (0.68) LMNATP53MAPTPOLBALDH1A1
SCHEMBL16896201 0.83 TP53 (0.69) LMNATP53MAPTPOLBALDH1A1
SCHEMBL16896220 0.83 TP53 (0.68) LMNATP53MAPTPOLBALDH1A1
SCHEMBL20096187 0.82 ALDH1A1 (0.85) LMNATP53MAPTPOLBALDH1A1
SCHEMBL16896113 0.82 LMNA (0.68) LMNATP53MAPTPOLB
SCHEMBL16896231 0.82 POLB (0.68) LMNATP53MAPTPOLBALDH1A1

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-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

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-20180110784-A1 SYNTHETIC TLR4 AND TLR7 LIGANDS TO PREVENT, INHIBIT OR TREAT LIVER DISEASE TLR4, TLR9, TLR1 LMNA 1948/4885TP53 2145/4885MAPT 4118/4885

“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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