SCHEMBL16896113

SCHEMBL16896113

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

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 6/20 0.68
▸ MAPT P10636 10/20 0.68
▸ TP53 P04637 7/20 0.68
▸ POLB P06746 1/20 0.65
▸ MEN1 O00255 1/20 0.64
▸ KMT2A Q03164 1/20 0.64
▸ KDM4E B2RXH2 1/20 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
SCHEMBL16896205 0.92 TP53 (0.64) LMNAMAPTTP53POLBMEN1
SCHEMBL16896201 0.91 TP53 (0.69) LMNAMAPTTP53POLBMEN1
SCHEMBL16896220 0.88 TP53 (0.68) LMNAMAPTTP53POLBMEN1
SCHEMBL16896230 0.88 TP53 (0.73) LMNAMAPTTP53POLBMEN1
SCHEMBL16896210 0.88 TP53 (0.68) LMNAMAPTTP53POLBMEN1
SCHEMBL16896231 0.88 POLB (0.68) LMNAMAPTTP53POLBMEN1
SCHEMBL16896044 0.87 POLB (0.67) LMNAMAPTTP53POLBMEN1
SCHEMBL16903565 0.85 MAPT (0.80) LMNAMAPTTP53
SCHEMBL16896116 0.85 MAPT (0.65) LMNAMAPTTP53POLB
SCHEMBL16896197 0.84 LMNA (0.68) LMNAMAPTTP53POLB

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 1484/4885MAPT 3892/4885TP53 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.

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